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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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/111-0827b976/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-0827b976/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: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -540.924543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.924543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.924543 (E_RNA) where: Base-Base interactions energy: -271.099 where: short stacking energy: -179.474 Base-Backbone interact. energy: -1.980 local terms energy: -267.845485 where: bonds (distance) C4'-P energy: -67.340 bonds (distance) P-C4' energy: -70.046 flat angles C4'-P-C4' energy: -63.828 flat angles P-C4'-P energy: -37.974 tors. eta vs tors. theta energy: -28.658 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: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -608.219904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.219904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.219904 (E_RNA) where: Base-Base interactions energy: -336.757 where: short stacking energy: -210.388 Base-Backbone interact. energy: 1.962 local terms energy: -273.425358 where: bonds (distance) C4'-P energy: -63.292 bonds (distance) P-C4' energy: -63.498 flat angles C4'-P-C4' energy: -61.500 flat angles P-C4'-P energy: -36.667 tors. eta vs tors. theta energy: -48.469 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: 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: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -720.855454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.855454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.855454 (E_RNA) where: Base-Base interactions energy: -403.672 where: short stacking energy: -242.511 Base-Backbone interact. energy: -1.013 local terms energy: -316.170601 where: bonds (distance) C4'-P energy: -60.498 bonds (distance) P-C4' energy: -75.677 flat angles C4'-P-C4' energy: -73.067 flat angles P-C4'-P energy: -45.889 tors. eta vs tors. theta energy: -61.039 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: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -596.428688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.428688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.428688 (E_RNA) where: Base-Base interactions energy: -305.773 where: short stacking energy: -223.059 Base-Backbone interact. energy: -0.252 local terms energy: -290.403544 where: bonds (distance) C4'-P energy: -65.470 bonds (distance) P-C4' energy: -64.423 flat angles C4'-P-C4' energy: -65.693 flat angles P-C4'-P energy: -43.455 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: 4, replica: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -609.101387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.101387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.101387 (E_RNA) where: Base-Base interactions energy: -340.067 where: short stacking energy: -229.097 Base-Backbone interact. energy: -0.846 local terms energy: -268.188011 where: bonds (distance) C4'-P energy: -60.081 bonds (distance) P-C4' energy: -59.901 flat angles C4'-P-C4' energy: -68.818 flat angles P-C4'-P energy: -29.698 tors. eta vs tors. theta energy: -49.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -802.319234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.319234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.319234 (E_RNA) where: Base-Base interactions energy: -446.240 where: short stacking energy: -278.415 Base-Backbone interact. energy: -0.468 local terms energy: -355.611430 where: bonds (distance) C4'-P energy: -71.469 bonds (distance) P-C4' energy: -76.963 flat angles C4'-P-C4' energy: -79.404 flat angles P-C4'-P energy: -56.018 tors. eta vs tors. theta energy: -71.758 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: 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: -658.348144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.348144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.348144 (E_RNA) where: Base-Base interactions energy: -376.103 where: short stacking energy: -236.101 Base-Backbone interact. energy: -2.614 local terms energy: -279.631497 where: bonds (distance) C4'-P energy: -63.769 bonds (distance) P-C4' energy: -60.345 flat angles C4'-P-C4' energy: -73.064 flat angles P-C4'-P energy: -31.481 tors. eta vs tors. theta energy: -50.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -566.347304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.347304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.347304 (E_RNA) where: Base-Base interactions energy: -308.754 where: short stacking energy: -180.896 Base-Backbone interact. energy: -0.184 local terms energy: -257.409058 where: bonds (distance) C4'-P energy: -51.247 bonds (distance) P-C4' energy: -68.322 flat angles C4'-P-C4' energy: -64.540 flat angles P-C4'-P energy: -45.003 tors. eta vs tors. theta energy: -28.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -345.765237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.765237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.765237 (E_RNA) where: Base-Base interactions energy: -146.850 where: short stacking energy: -101.691 Base-Backbone interact. energy: -1.300 local terms energy: -197.615931 where: bonds (distance) C4'-P energy: -55.348 bonds (distance) P-C4' energy: -63.950 flat angles C4'-P-C4' energy: -55.001 flat angles P-C4'-P energy: -28.423 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: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -345.058539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.058539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.058539 (E_RNA) where: Base-Base interactions energy: -162.359 where: short stacking energy: -116.411 Base-Backbone interact. energy: 4.645 local terms energy: -187.344263 where: bonds (distance) C4'-P energy: -44.463 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -50.009 flat angles P-C4'-P energy: -22.600 tors. eta vs tors. theta energy: -11.477 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: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -773.980281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.980281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.980281 (E_RNA) where: Base-Base interactions energy: -449.067 where: short stacking energy: -279.401 Base-Backbone interact. energy: 0.581 local terms energy: -325.494787 where: bonds (distance) C4'-P energy: -63.088 bonds (distance) P-C4' energy: -75.003 flat angles C4'-P-C4' energy: -71.468 flat angles P-C4'-P energy: -45.825 tors. eta vs tors. theta energy: -70.110 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: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -726.850368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.850368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.850368 (E_RNA) where: Base-Base interactions energy: -392.550 where: short stacking energy: -264.612 Base-Backbone interact. energy: 1.120 local terms energy: -335.421261 where: bonds (distance) C4'-P energy: -75.386 bonds (distance) P-C4' energy: -67.358 flat angles C4'-P-C4' energy: -71.896 flat angles P-C4'-P energy: -47.545 tors. eta vs tors. theta energy: -73.237 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: 4 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -683.124911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.124911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.124911 (E_RNA) where: Base-Base interactions energy: -379.011 where: short stacking energy: -253.039 Base-Backbone interact. energy: -0.592 local terms energy: -303.522593 where: bonds (distance) C4'-P energy: -64.697 bonds (distance) P-C4' energy: -61.157 flat angles C4'-P-C4' energy: -70.997 flat angles P-C4'-P energy: -50.705 tors. eta vs tors. theta energy: -55.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -654.622634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.622634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.622634 (E_RNA) where: Base-Base interactions energy: -359.153 where: short stacking energy: -220.165 Base-Backbone interact. energy: -0.759 local terms energy: -294.710065 where: bonds (distance) C4'-P energy: -71.417 bonds (distance) P-C4' energy: -62.710 flat angles C4'-P-C4' energy: -63.032 flat angles P-C4'-P energy: -46.094 tors. eta vs tors. theta energy: -51.457 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: 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: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -397.625802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.625802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.625802 (E_RNA) where: Base-Base interactions energy: -218.240 where: short stacking energy: -130.874 Base-Backbone interact. energy: -0.744 local terms energy: -178.641343 where: bonds (distance) C4'-P energy: -55.510 bonds (distance) P-C4' energy: -60.319 flat angles C4'-P-C4' energy: -52.365 flat angles P-C4'-P energy: -18.419 tors. eta vs tors. theta energy: 7.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -318.399876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.399876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.399876 (E_RNA) where: Base-Base interactions energy: -133.338 where: short stacking energy: -91.931 Base-Backbone interact. energy: 0.814 local terms energy: -185.875584 where: bonds (distance) C4'-P energy: -55.585 bonds (distance) P-C4' energy: -59.202 flat angles C4'-P-C4' energy: -41.395 flat angles P-C4'-P energy: -33.684 tors. eta vs tors. theta energy: 3.989 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: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -822.486292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.486292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.486292 (E_RNA) where: Base-Base interactions energy: -488.035 where: short stacking energy: -277.147 Base-Backbone interact. energy: -3.384 local terms energy: -331.066524 where: bonds (distance) C4'-P energy: -72.191 bonds (distance) P-C4' energy: -79.101 flat angles C4'-P-C4' energy: -63.414 flat angles P-C4'-P energy: -46.194 tors. eta vs tors. theta energy: -70.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -688.591930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.591930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.591930 (E_RNA) where: Base-Base interactions energy: -378.575 where: short stacking energy: -257.709 Base-Backbone interact. energy: 2.019 local terms energy: -312.035612 where: bonds (distance) C4'-P energy: -68.543 bonds (distance) P-C4' energy: -72.466 flat angles C4'-P-C4' energy: -71.730 flat angles P-C4'-P energy: -46.285 tors. eta vs tors. theta energy: -53.012 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: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -712.789200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.789200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.789200 (E_RNA) where: Base-Base interactions energy: -412.300 where: short stacking energy: -254.753 Base-Backbone interact. energy: -0.453 local terms energy: -300.036212 where: bonds (distance) C4'-P energy: -60.810 bonds (distance) P-C4' energy: -69.416 flat angles C4'-P-C4' energy: -62.867 flat angles P-C4'-P energy: -46.112 tors. eta vs tors. theta energy: -60.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -626.302538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.302538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.302538 (E_RNA) where: Base-Base interactions energy: -348.231 where: short stacking energy: -191.796 Base-Backbone interact. energy: -1.952 local terms energy: -276.119967 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -47.974 tors. eta vs tors. theta energy: -34.421 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: 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: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -455.043945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.043945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.043945 (E_RNA) where: Base-Base interactions energy: -221.341 where: short stacking energy: -128.085 Base-Backbone interact. energy: 0.739 local terms energy: -234.442050 where: bonds (distance) C4'-P energy: -56.994 bonds (distance) P-C4' energy: -68.087 flat angles C4'-P-C4' energy: -68.515 flat angles P-C4'-P energy: -42.346 tors. eta vs tors. theta energy: 1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 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: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -313.732269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.732269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.732269 (E_RNA) where: Base-Base interactions energy: -113.760 where: short stacking energy: -85.570 Base-Backbone interact. energy: -0.857 local terms energy: -199.114933 where: bonds (distance) C4'-P energy: -53.364 bonds (distance) P-C4' energy: -50.351 flat angles C4'-P-C4' energy: -56.293 flat angles P-C4'-P energy: -33.975 tors. eta vs tors. theta energy: -5.133 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: 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: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -876.166967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.166967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.166967 (E_RNA) where: Base-Base interactions energy: -543.541 where: short stacking energy: -289.877 Base-Backbone interact. energy: 2.690 local terms energy: -335.315930 where: bonds (distance) C4'-P energy: -68.373 bonds (distance) P-C4' energy: -76.849 flat angles C4'-P-C4' energy: -80.301 flat angles P-C4'-P energy: -38.340 tors. eta vs tors. theta energy: -71.453 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: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -762.957284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.957284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.957284 (E_RNA) where: Base-Base interactions energy: -436.110 where: short stacking energy: -270.881 Base-Backbone interact. energy: 0.029 local terms energy: -326.876848 where: bonds (distance) C4'-P energy: -67.622 bonds (distance) P-C4' energy: -70.538 flat angles C4'-P-C4' energy: -69.979 flat angles P-C4'-P energy: -47.970 tors. eta vs tors. theta energy: -70.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -681.166471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.166471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.166471 (E_RNA) where: Base-Base interactions energy: -389.824 where: short stacking energy: -217.681 Base-Backbone interact. energy: 3.441 local terms energy: -294.783524 where: bonds (distance) C4'-P energy: -70.663 bonds (distance) P-C4' energy: -73.944 flat angles C4'-P-C4' energy: -65.299 flat angles P-C4'-P energy: -37.605 tors. eta vs tors. theta energy: -47.273 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: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -711.914775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.914775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.914775 (E_RNA) where: Base-Base interactions energy: -414.055 where: short stacking energy: -236.771 Base-Backbone interact. energy: -2.402 local terms energy: -295.458254 where: bonds (distance) C4'-P energy: -65.735 bonds (distance) P-C4' energy: -65.671 flat angles C4'-P-C4' energy: -69.637 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: -58.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -655.310702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.310702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.310702 (E_RNA) where: Base-Base interactions energy: -363.888 where: short stacking energy: -197.147 Base-Backbone interact. energy: -0.640 local terms energy: -290.782531 where: bonds (distance) C4'-P energy: -71.678 bonds (distance) P-C4' energy: -65.993 flat angles C4'-P-C4' energy: -64.456 flat angles P-C4'-P energy: -39.450 tors. eta vs tors. theta energy: -49.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -584.036076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.036076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.036076 (E_RNA) where: Base-Base interactions energy: -354.711 where: short stacking energy: -173.033 Base-Backbone interact. energy: -1.464 local terms energy: -227.860809 where: bonds (distance) C4'-P energy: -56.868 bonds (distance) P-C4' energy: -49.383 flat angles C4'-P-C4' energy: -62.733 flat angles P-C4'-P energy: -39.704 tors. eta vs tors. theta energy: -19.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -527.312546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.312546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.312546 (E_RNA) where: Base-Base interactions energy: -281.551 where: short stacking energy: -188.715 Base-Backbone interact. energy: -0.872 local terms energy: -244.889704 where: bonds (distance) C4'-P energy: -59.225 bonds (distance) P-C4' energy: -54.688 flat angles C4'-P-C4' energy: -61.136 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -33.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -331.261942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.261942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.261942 (E_RNA) where: Base-Base interactions energy: -123.758 where: short stacking energy: -112.980 Base-Backbone interact. energy: 3.419 local terms energy: -210.923690 where: bonds (distance) C4'-P energy: -53.870 bonds (distance) P-C4' energy: -64.713 flat angles C4'-P-C4' energy: -46.636 flat angles P-C4'-P energy: -38.046 tors. eta vs tors. theta energy: -7.658 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: 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: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -885.329730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.329730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.329730 (E_RNA) where: Base-Base interactions energy: -539.838 where: short stacking energy: -291.234 Base-Backbone interact. energy: -2.248 local terms energy: -343.243979 where: bonds (distance) C4'-P energy: -75.198 bonds (distance) P-C4' energy: -67.909 flat angles C4'-P-C4' energy: -75.689 flat angles P-C4'-P energy: -47.183 tors. eta vs tors. theta energy: -77.265 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: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -786.002455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.002455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.002455 (E_RNA) where: Base-Base interactions energy: -444.149 where: short stacking energy: -264.469 Base-Backbone interact. energy: -0.506 local terms energy: -341.347600 where: bonds (distance) C4'-P energy: -74.392 bonds (distance) P-C4' energy: -63.818 flat angles C4'-P-C4' energy: -75.136 flat angles P-C4'-P energy: -52.401 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: 3, replica: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -800.058862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.058862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.058862 (E_RNA) where: Base-Base interactions energy: -476.629 where: short stacking energy: -267.848 Base-Backbone interact. energy: -2.470 local terms energy: -320.960281 where: bonds (distance) C4'-P energy: -66.215 bonds (distance) P-C4' energy: -72.102 flat angles C4'-P-C4' energy: -63.795 flat angles P-C4'-P energy: -48.931 tors. eta vs tors. theta energy: -69.917 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: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -671.832950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.832950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.832950 (E_RNA) where: Base-Base interactions energy: -395.824 where: short stacking energy: -227.805 Base-Backbone interact. energy: 0.056 local terms energy: -276.065462 where: bonds (distance) C4'-P energy: -49.802 bonds (distance) P-C4' energy: -62.674 flat angles C4'-P-C4' energy: -67.947 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: -52.905 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: 2 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -597.759581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.759581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.759581 (E_RNA) where: Base-Base interactions energy: -337.031 where: short stacking energy: -196.821 Base-Backbone interact. energy: -1.275 local terms energy: -259.453779 where: bonds (distance) C4'-P energy: -64.535 bonds (distance) P-C4' energy: -52.488 flat angles C4'-P-C4' energy: -55.920 flat angles P-C4'-P energy: -47.909 tors. eta vs tors. theta energy: -38.602 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: 7 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -633.884036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.884036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.884036 (E_RNA) where: Base-Base interactions energy: -364.437 where: short stacking energy: -193.479 Base-Backbone interact. energy: -0.601 local terms energy: -268.845315 where: bonds (distance) C4'-P energy: -69.187 bonds (distance) P-C4' energy: -61.036 flat angles C4'-P-C4' energy: -57.168 flat angles P-C4'-P energy: -45.337 tors. eta vs tors. theta energy: -36.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -479.784862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.784862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.784862 (E_RNA) where: Base-Base interactions energy: -219.854 where: short stacking energy: -146.735 Base-Backbone interact. energy: -1.436 local terms energy: -258.494263 where: bonds (distance) C4'-P energy: -60.757 bonds (distance) P-C4' energy: -64.444 flat angles C4'-P-C4' energy: -61.985 flat angles P-C4'-P energy: -40.937 tors. eta vs tors. theta energy: -30.371 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: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -499.446553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.446553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.446553 (E_RNA) where: Base-Base interactions energy: -265.114 where: short stacking energy: -156.876 Base-Backbone interact. energy: 1.294 local terms energy: -235.626042 where: bonds (distance) C4'-P energy: -55.662 bonds (distance) P-C4' energy: -60.705 flat angles C4'-P-C4' energy: -56.120 flat angles P-C4'-P energy: -36.796 tors. eta vs tors. theta energy: -26.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -869.736753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.736753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.736753 (E_RNA) where: Base-Base interactions energy: -537.340 where: short stacking energy: -293.068 Base-Backbone interact. energy: -1.919 local terms energy: -330.478060 where: bonds (distance) C4'-P energy: -65.329 bonds (distance) P-C4' energy: -75.771 flat angles C4'-P-C4' energy: -70.814 flat angles P-C4'-P energy: -45.248 tors. eta vs tors. theta energy: -73.316 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: 2, replica: 5 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -883.394215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.394215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.394215 (E_RNA) where: Base-Base interactions energy: -560.706 where: short stacking energy: -288.595 Base-Backbone interact. energy: -1.245 local terms energy: -321.442368 where: bonds (distance) C4'-P energy: -70.218 bonds (distance) P-C4' energy: -62.178 flat angles C4'-P-C4' energy: -72.079 flat angles P-C4'-P energy: -42.386 tors. eta vs tors. theta energy: -74.582 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: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -755.077103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.077103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.077103 (E_RNA) where: Base-Base interactions energy: -420.041 where: short stacking energy: -258.021 Base-Backbone interact. energy: -0.083 local terms energy: -334.952545 where: bonds (distance) C4'-P energy: -71.068 bonds (distance) P-C4' energy: -63.464 flat angles C4'-P-C4' energy: -81.451 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -73.894 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: 1 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -709.307932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.307932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.307932 (E_RNA) where: Base-Base interactions energy: -443.566 where: short stacking energy: -203.941 Base-Backbone interact. energy: -2.178 local terms energy: -263.564109 where: bonds (distance) C4'-P energy: -72.160 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -61.288 flat angles P-C4'-P energy: -29.588 tors. eta vs tors. theta energy: -34.483 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: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -636.644926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.644926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.644926 (E_RNA) where: Base-Base interactions energy: -366.620 where: short stacking energy: -178.603 Base-Backbone interact. energy: -1.505 local terms energy: -268.519715 where: bonds (distance) C4'-P energy: -57.319 bonds (distance) P-C4' energy: -74.584 flat angles C4'-P-C4' energy: -66.451 flat angles P-C4'-P energy: -46.933 tors. eta vs tors. theta energy: -23.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -722.972848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.972848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.972848 (E_RNA) where: Base-Base interactions energy: -451.474 where: short stacking energy: -233.737 Base-Backbone interact. energy: -0.812 local terms energy: -270.686654 where: bonds (distance) C4'-P energy: -59.308 bonds (distance) P-C4' energy: -65.608 flat angles C4'-P-C4' energy: -64.190 flat angles P-C4'-P energy: -33.574 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: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -484.317448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.317448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.317448 (E_RNA) where: Base-Base interactions energy: -249.190 where: short stacking energy: -152.948 Base-Backbone interact. energy: -1.703 local terms energy: -233.424864 where: bonds (distance) C4'-P energy: -51.924 bonds (distance) P-C4' energy: -72.090 flat angles C4'-P-C4' energy: -60.445 flat angles P-C4'-P energy: -33.473 tors. eta vs tors. theta energy: -15.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -433.865084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.865084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.865084 (E_RNA) where: Base-Base interactions energy: -195.412 where: short stacking energy: -128.401 Base-Backbone interact. energy: 1.050 local terms energy: -239.502900 where: bonds (distance) C4'-P energy: -66.599 bonds (distance) P-C4' energy: -67.157 flat angles C4'-P-C4' energy: -63.443 flat angles P-C4'-P energy: -22.185 tors. eta vs tors. theta energy: -20.119 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: 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: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -961.929038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.929038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.929038 (E_RNA) where: Base-Base interactions energy: -620.010 where: short stacking energy: -291.706 Base-Backbone interact. energy: -0.941 local terms energy: -340.977888 where: bonds (distance) C4'-P energy: -64.980 bonds (distance) P-C4' energy: -71.205 flat angles C4'-P-C4' energy: -73.176 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -77.534 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: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -888.529214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.529214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.529214 (E_RNA) where: Base-Base interactions energy: -566.434 where: short stacking energy: -270.834 Base-Backbone interact. energy: -1.339 local terms energy: -320.756600 where: bonds (distance) C4'-P energy: -67.798 bonds (distance) P-C4' energy: -62.192 flat angles C4'-P-C4' energy: -77.729 flat angles P-C4'-P energy: -42.748 tors. eta vs tors. theta energy: -70.289 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: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -779.832020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.832020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.832020 (E_RNA) where: Base-Base interactions energy: -473.398 where: short stacking energy: -251.868 Base-Backbone interact. energy: -1.312 local terms energy: -305.121386 where: bonds (distance) C4'-P energy: -55.985 bonds (distance) P-C4' energy: -70.837 flat angles C4'-P-C4' energy: -70.531 flat angles P-C4'-P energy: -43.334 tors. eta vs tors. theta energy: -64.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -737.751954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.751954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.751954 (E_RNA) where: Base-Base interactions energy: -441.583 where: short stacking energy: -262.855 Base-Backbone interact. energy: 2.837 local terms energy: -299.006260 where: bonds (distance) C4'-P energy: -65.562 bonds (distance) P-C4' energy: -55.764 flat angles C4'-P-C4' energy: -66.514 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -64.382 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: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -728.794721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.794721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.794721 (E_RNA) where: Base-Base interactions energy: -459.384 where: short stacking energy: -209.228 Base-Backbone interact. energy: -1.063 local terms energy: -268.347929 where: bonds (distance) C4'-P energy: -65.747 bonds (distance) P-C4' energy: -55.366 flat angles C4'-P-C4' energy: -56.749 flat angles P-C4'-P energy: -42.491 tors. eta vs tors. theta energy: -47.994 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: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -609.542222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.542222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.542222 (E_RNA) where: Base-Base interactions energy: -334.286 where: short stacking energy: -180.725 Base-Backbone interact. energy: -1.586 local terms energy: -273.669837 where: bonds (distance) C4'-P energy: -61.605 bonds (distance) P-C4' energy: -70.027 flat angles C4'-P-C4' energy: -61.493 flat angles P-C4'-P energy: -42.386 tors. eta vs tors. theta energy: -38.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -476.047075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.047075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.047075 (E_RNA) where: Base-Base interactions energy: -256.418 where: short stacking energy: -165.246 Base-Backbone interact. energy: -2.243 local terms energy: -217.385647 where: bonds (distance) C4'-P energy: -54.851 bonds (distance) P-C4' energy: -56.722 flat angles C4'-P-C4' energy: -42.220 flat angles P-C4'-P energy: -41.553 tors. eta vs tors. theta energy: -22.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -491.722925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.722925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.722925 (E_RNA) where: Base-Base interactions energy: -257.120 where: short stacking energy: -153.998 Base-Backbone interact. energy: -1.116 local terms energy: -233.487193 where: bonds (distance) C4'-P energy: -50.594 bonds (distance) P-C4' energy: -68.130 flat angles C4'-P-C4' energy: -68.201 flat angles P-C4'-P energy: -24.273 tors. eta vs tors. theta energy: -22.289 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: 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: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -970.769791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.769791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.769791 (E_RNA) where: Base-Base interactions energy: -621.388 where: short stacking energy: -314.415 Base-Backbone interact. energy: 0.343 local terms energy: -349.724492 where: bonds (distance) C4'-P energy: -68.699 bonds (distance) P-C4' energy: -65.722 flat angles C4'-P-C4' energy: -76.414 flat angles P-C4'-P energy: -50.153 tors. eta vs tors. theta energy: -88.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -874.210156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.210156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.210156 (E_RNA) where: Base-Base interactions energy: -564.718 where: short stacking energy: -270.263 Base-Backbone interact. energy: -2.504 local terms energy: -306.988208 where: bonds (distance) C4'-P energy: -68.369 bonds (distance) P-C4' energy: -69.283 flat angles C4'-P-C4' energy: -70.952 flat angles P-C4'-P energy: -38.510 tors. eta vs tors. theta energy: -59.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -769.244148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.244148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.244148 (E_RNA) where: Base-Base interactions energy: -464.017 where: short stacking energy: -244.417 Base-Backbone interact. energy: -1.649 local terms energy: -303.578050 where: bonds (distance) C4'-P energy: -61.677 bonds (distance) P-C4' energy: -66.448 flat angles C4'-P-C4' energy: -71.276 flat angles P-C4'-P energy: -40.127 tors. eta vs tors. theta energy: -64.050 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: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -769.788738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.788738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.788738 (E_RNA) where: Base-Base interactions energy: -455.403 where: short stacking energy: -273.815 Base-Backbone interact. energy: -1.731 local terms energy: -312.655027 where: bonds (distance) C4'-P energy: -65.701 bonds (distance) P-C4' energy: -71.860 flat angles C4'-P-C4' energy: -63.253 flat angles P-C4'-P energy: -43.946 tors. eta vs tors. theta energy: -67.896 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: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -722.866282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.866282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.866282 (E_RNA) where: Base-Base interactions energy: -453.104 where: short stacking energy: -230.293 Base-Backbone interact. energy: 2.517 local terms energy: -272.278789 where: bonds (distance) C4'-P energy: -63.081 bonds (distance) P-C4' energy: -68.211 flat angles C4'-P-C4' energy: -65.059 flat angles P-C4'-P energy: -35.084 tors. eta vs tors. theta energy: -40.843 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: 6, replica: 2 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -595.052233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.052233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.052233 (E_RNA) where: Base-Base interactions energy: -328.229 where: short stacking energy: -187.681 Base-Backbone interact. energy: -0.568 local terms energy: -266.255424 where: bonds (distance) C4'-P energy: -56.679 bonds (distance) P-C4' energy: -58.785 flat angles C4'-P-C4' energy: -63.002 flat angles P-C4'-P energy: -45.601 tors. eta vs tors. theta energy: -42.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -506.186339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.186339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.186339 (E_RNA) where: Base-Base interactions energy: -257.613 where: short stacking energy: -173.332 Base-Backbone interact. energy: 0.289 local terms energy: -248.862394 where: bonds (distance) C4'-P energy: -69.021 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -54.796 flat angles P-C4'-P energy: -30.442 tors. eta vs tors. theta energy: -34.674 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: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -440.235959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.235959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.235959 (E_RNA) where: Base-Base interactions energy: -204.009 where: short stacking energy: -124.475 Base-Backbone interact. energy: 0.901 local terms energy: -237.127702 where: bonds (distance) C4'-P energy: -52.578 bonds (distance) P-C4' energy: -55.157 flat angles C4'-P-C4' energy: -66.529 flat angles P-C4'-P energy: -48.802 tors. eta vs tors. theta energy: -14.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -443.586256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.586256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.586256 (E_RNA) where: Base-Base interactions energy: -229.750 where: short stacking energy: -114.039 Base-Backbone interact. energy: 0.041 local terms energy: -213.876893 where: bonds (distance) C4'-P energy: -47.481 bonds (distance) P-C4' energy: -53.812 flat angles C4'-P-C4' energy: -63.145 flat angles P-C4'-P energy: -32.152 tors. eta vs tors. theta energy: -17.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -993.975848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.975848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.975848 (E_RNA) where: Base-Base interactions energy: -635.995 where: short stacking energy: -314.507 Base-Backbone interact. energy: -1.155 local terms energy: -356.825897 where: bonds (distance) C4'-P energy: -66.592 bonds (distance) P-C4' energy: -76.767 flat angles C4'-P-C4' energy: -74.996 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -88.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -840.003272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.003272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.003272 (E_RNA) where: Base-Base interactions energy: -520.426 where: short stacking energy: -267.972 Base-Backbone interact. energy: -1.506 local terms energy: -318.070782 where: bonds (distance) C4'-P energy: -74.728 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -71.202 flat angles P-C4'-P energy: -47.364 tors. eta vs tors. theta energy: -60.254 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: 14 Temperature: 1.000000 Total energy: -866.952602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.952602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.952602 (E_RNA) where: Base-Base interactions energy: -550.522 where: short stacking energy: -294.126 Base-Backbone interact. energy: 0.804 local terms energy: -317.234106 where: bonds (distance) C4'-P energy: -53.540 bonds (distance) P-C4' energy: -76.820 flat angles C4'-P-C4' energy: -67.557 flat angles P-C4'-P energy: -37.720 tors. eta vs tors. theta energy: -81.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -770.272663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.272663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.272663 (E_RNA) where: Base-Base interactions energy: -473.379 where: short stacking energy: -253.652 Base-Backbone interact. energy: -0.628 local terms energy: -296.265096 where: bonds (distance) C4'-P energy: -67.745 bonds (distance) P-C4' energy: -60.827 flat angles C4'-P-C4' energy: -68.045 flat angles P-C4'-P energy: -33.560 tors. eta vs tors. theta energy: -66.089 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: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -721.333292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.333292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.333292 (E_RNA) where: Base-Base interactions energy: -453.051 where: short stacking energy: -221.906 Base-Backbone interact. energy: -0.804 local terms energy: -267.478862 where: bonds (distance) C4'-P energy: -61.585 bonds (distance) P-C4' energy: -59.820 flat angles C4'-P-C4' energy: -58.591 flat angles P-C4'-P energy: -35.994 tors. eta vs tors. theta energy: -51.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -585.603115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.603115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.603115 (E_RNA) where: Base-Base interactions energy: -334.937 where: short stacking energy: -192.188 Base-Backbone interact. energy: 0.232 local terms energy: -250.898868 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -63.343 flat angles C4'-P-C4' energy: -55.875 flat angles P-C4'-P energy: -29.617 tors. eta vs tors. theta energy: -33.414 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: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -490.421762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.421762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.421762 (E_RNA) where: Base-Base interactions energy: -245.780 where: short stacking energy: -145.595 Base-Backbone interact. energy: -1.812 local terms energy: -242.829694 where: bonds (distance) C4'-P energy: -63.440 bonds (distance) P-C4' energy: -64.060 flat angles C4'-P-C4' energy: -54.178 flat angles P-C4'-P energy: -40.393 tors. eta vs tors. theta energy: -20.759 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: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -416.812318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.812318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.812318 (E_RNA) where: Base-Base interactions energy: -213.811 where: short stacking energy: -119.527 Base-Backbone interact. energy: 4.641 local terms energy: -207.642398 where: bonds (distance) C4'-P energy: -43.759 bonds (distance) P-C4' energy: -66.412 flat angles C4'-P-C4' energy: -50.594 flat angles P-C4'-P energy: -32.469 tors. eta vs tors. theta energy: -14.409 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: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -433.889907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.889907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.889907 (E_RNA) where: Base-Base interactions energy: -219.311 where: short stacking energy: -122.593 Base-Backbone interact. energy: 4.210 local terms energy: -218.788891 where: bonds (distance) C4'-P energy: -46.391 bonds (distance) P-C4' energy: -67.885 flat angles C4'-P-C4' energy: -49.162 flat angles P-C4'-P energy: -33.597 tors. eta vs tors. theta energy: -21.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 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: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1021.654789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.654789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.654789 (E_RNA) where: Base-Base interactions energy: -660.480 where: short stacking energy: -316.076 Base-Backbone interact. energy: -1.882 local terms energy: -359.293188 where: bonds (distance) C4'-P energy: -64.280 bonds (distance) P-C4' energy: -65.011 flat angles C4'-P-C4' energy: -79.823 flat angles P-C4'-P energy: -57.444 tors. eta vs tors. theta energy: -92.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -905.889858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.889858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.889858 (E_RNA) where: Base-Base interactions energy: -578.354 where: short stacking energy: -279.434 Base-Backbone interact. energy: -1.408 local terms energy: -326.127840 where: bonds (distance) C4'-P energy: -73.311 bonds (distance) P-C4' energy: -71.316 flat angles C4'-P-C4' energy: -75.175 flat angles P-C4'-P energy: -40.693 tors. eta vs tors. theta energy: -65.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -805.394487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.394487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.394487 (E_RNA) where: Base-Base interactions energy: -488.155 where: short stacking energy: -260.180 Base-Backbone interact. energy: -2.580 local terms energy: -314.659556 where: bonds (distance) C4'-P energy: -63.536 bonds (distance) P-C4' energy: -73.831 flat angles C4'-P-C4' energy: -70.601 flat angles P-C4'-P energy: -47.857 tors. eta vs tors. theta energy: -58.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -759.130158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.130158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.130158 (E_RNA) where: Base-Base interactions energy: -483.792 where: short stacking energy: -253.241 Base-Backbone interact. energy: -1.865 local terms energy: -273.473175 where: bonds (distance) C4'-P energy: -56.074 bonds (distance) P-C4' energy: -53.360 flat angles C4'-P-C4' energy: -66.109 flat angles P-C4'-P energy: -36.792 tors. eta vs tors. theta energy: -61.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -725.974415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.974415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.974415 (E_RNA) where: Base-Base interactions energy: -448.577 where: short stacking energy: -238.607 Base-Backbone interact. energy: 1.251 local terms energy: -278.648055 where: bonds (distance) C4'-P energy: -58.510 bonds (distance) P-C4' energy: -71.528 flat angles C4'-P-C4' energy: -60.691 flat angles P-C4'-P energy: -37.609 tors. eta vs tors. theta energy: -50.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -570.617241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.617241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.617241 (E_RNA) where: Base-Base interactions energy: -320.500 where: short stacking energy: -154.647 Base-Backbone interact. energy: 3.375 local terms energy: -253.492064 where: bonds (distance) C4'-P energy: -64.021 bonds (distance) P-C4' energy: -69.996 flat angles C4'-P-C4' energy: -57.365 flat angles P-C4'-P energy: -41.687 tors. eta vs tors. theta energy: -20.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -552.969444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.969444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.969444 (E_RNA) where: Base-Base interactions energy: -304.453 where: short stacking energy: -183.613 Base-Backbone interact. energy: -0.104 local terms energy: -248.413057 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -69.020 flat angles C4'-P-C4' energy: -55.621 flat angles P-C4'-P energy: -31.709 tors. eta vs tors. theta energy: -34.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -472.323989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.323989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.323989 (E_RNA) where: Base-Base interactions energy: -240.754 where: short stacking energy: -123.619 Base-Backbone interact. energy: -0.828 local terms energy: -230.741893 where: bonds (distance) C4'-P energy: -50.817 bonds (distance) P-C4' energy: -69.517 flat angles C4'-P-C4' energy: -55.171 flat angles P-C4'-P energy: -43.800 tors. eta vs tors. theta energy: -11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -431.787537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.787537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.787537 (E_RNA) where: Base-Base interactions energy: -221.214 where: short stacking energy: -125.613 Base-Backbone interact. energy: -0.073 local terms energy: -210.500743 where: bonds (distance) C4'-P energy: -44.441 bonds (distance) P-C4' energy: -68.435 flat angles C4'-P-C4' energy: -43.451 flat angles P-C4'-P energy: -33.908 tors. eta vs tors. theta energy: -20.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1041.400615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.400615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.400615 (E_RNA) where: Base-Base interactions energy: -676.243 where: short stacking energy: -326.791 Base-Backbone interact. energy: -0.846 local terms energy: -364.311045 where: bonds (distance) C4'-P energy: -72.048 bonds (distance) P-C4' energy: -77.662 flat angles C4'-P-C4' energy: -75.266 flat angles P-C4'-P energy: -50.672 tors. eta vs tors. theta energy: -88.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -941.717765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.717765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.717765 (E_RNA) where: Base-Base interactions energy: -604.420 where: short stacking energy: -306.404 Base-Backbone interact. energy: -1.406 local terms energy: -335.891492 where: bonds (distance) C4'-P energy: -60.534 bonds (distance) P-C4' energy: -75.074 flat angles C4'-P-C4' energy: -73.417 flat angles P-C4'-P energy: -45.476 tors. eta vs tors. theta energy: -81.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -857.537095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.537095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.537095 (E_RNA) where: Base-Base interactions energy: -536.351 where: short stacking energy: -298.219 Base-Backbone interact. energy: -0.265 local terms energy: -320.921000 where: bonds (distance) C4'-P energy: -64.973 bonds (distance) P-C4' energy: -61.238 flat angles C4'-P-C4' energy: -70.232 flat angles P-C4'-P energy: -47.046 tors. eta vs tors. theta energy: -77.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -793.783681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.783681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.783681 (E_RNA) where: Base-Base interactions energy: -487.067 where: short stacking energy: -257.890 Base-Backbone interact. energy: -1.103 local terms energy: -305.614089 where: bonds (distance) C4'-P energy: -66.655 bonds (distance) P-C4' energy: -59.972 flat angles C4'-P-C4' energy: -63.559 flat angles P-C4'-P energy: -45.671 tors. eta vs tors. theta energy: -69.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -693.649924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.649924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.649924 (E_RNA) where: Base-Base interactions energy: -409.903 where: short stacking energy: -215.902 Base-Backbone interact. energy: -0.233 local terms energy: -283.514453 where: bonds (distance) C4'-P energy: -64.393 bonds (distance) P-C4' energy: -76.015 flat angles C4'-P-C4' energy: -71.783 flat angles P-C4'-P energy: -29.825 tors. eta vs tors. theta energy: -41.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -619.589474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.589474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.589474 (E_RNA) where: Base-Base interactions energy: -369.779 where: short stacking energy: -172.824 Base-Backbone interact. energy: -0.294 local terms energy: -249.516087 where: bonds (distance) C4'-P energy: -63.973 bonds (distance) P-C4' energy: -65.462 flat angles C4'-P-C4' energy: -61.519 flat angles P-C4'-P energy: -35.651 tors. eta vs tors. theta energy: -22.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -518.545597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.545597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.545597 (E_RNA) where: Base-Base interactions energy: -276.332 where: short stacking energy: -150.500 Base-Backbone interact. energy: -0.677 local terms energy: -241.536619 where: bonds (distance) C4'-P energy: -52.378 bonds (distance) P-C4' energy: -68.738 flat angles C4'-P-C4' energy: -65.213 flat angles P-C4'-P energy: -33.182 tors. eta vs tors. theta energy: -22.026 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: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -490.790490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.790490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.790490 (E_RNA) where: Base-Base interactions energy: -253.257 where: short stacking energy: -159.127 Base-Backbone interact. energy: -0.654 local terms energy: -236.879390 where: bonds (distance) C4'-P energy: -61.705 bonds (distance) P-C4' energy: -48.127 flat angles C4'-P-C4' energy: -61.630 flat angles P-C4'-P energy: -35.037 tors. eta vs tors. theta energy: -30.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -440.685383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.685383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.685383 (E_RNA) where: Base-Base interactions energy: -229.011 where: short stacking energy: -118.695 Base-Backbone interact. energy: -0.990 local terms energy: -210.684724 where: bonds (distance) C4'-P energy: -53.253 bonds (distance) P-C4' energy: -67.471 flat angles C4'-P-C4' energy: -54.510 flat angles P-C4'-P energy: -25.023 tors. eta vs tors. theta energy: -10.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 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: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1057.602068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.602068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.602068 (E_RNA) where: Base-Base interactions energy: -704.588 where: short stacking energy: -323.287 Base-Backbone interact. energy: -2.268 local terms energy: -350.746557 where: bonds (distance) C4'-P energy: -68.364 bonds (distance) P-C4' energy: -70.916 flat angles C4'-P-C4' energy: -78.471 flat angles P-C4'-P energy: -43.369 tors. eta vs tors. theta energy: -89.627 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: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -956.584639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.584639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.584639 (E_RNA) where: Base-Base interactions energy: -614.066 where: short stacking energy: -307.335 Base-Backbone interact. energy: 1.056 local terms energy: -343.574713 where: bonds (distance) C4'-P energy: -62.734 bonds (distance) P-C4' energy: -73.783 flat angles C4'-P-C4' energy: -80.131 flat angles P-C4'-P energy: -54.435 tors. eta vs tors. theta energy: -72.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -767.168622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.168622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.168622 (E_RNA) where: Base-Base interactions energy: -483.031 where: short stacking energy: -245.667 Base-Backbone interact. energy: -0.211 local terms energy: -283.926658 where: bonds (distance) C4'-P energy: -62.992 bonds (distance) P-C4' energy: -54.564 flat angles C4'-P-C4' energy: -72.069 flat angles P-C4'-P energy: -44.440 tors. eta vs tors. theta energy: -49.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -761.273786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.273786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.273786 (E_RNA) where: Base-Base interactions energy: -460.214 where: short stacking energy: -254.927 Base-Backbone interact. energy: -2.778 local terms energy: -298.282600 where: bonds (distance) C4'-P energy: -62.025 bonds (distance) P-C4' energy: -65.104 flat angles C4'-P-C4' energy: -58.692 flat angles P-C4'-P energy: -41.562 tors. eta vs tors. theta energy: -70.900 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: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -714.314772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.314772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.314772 (E_RNA) where: Base-Base interactions energy: -420.124 where: short stacking energy: -204.015 Base-Backbone interact. energy: 0.784 local terms energy: -294.974553 where: bonds (distance) C4'-P energy: -74.372 bonds (distance) P-C4' energy: -66.719 flat angles C4'-P-C4' energy: -60.259 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -47.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -643.721524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.721524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.721524 (E_RNA) where: Base-Base interactions energy: -387.639 where: short stacking energy: -185.737 Base-Backbone interact. energy: -2.150 local terms energy: -253.932521 where: bonds (distance) C4'-P energy: -73.278 bonds (distance) P-C4' energy: -62.833 flat angles C4'-P-C4' energy: -55.540 flat angles P-C4'-P energy: -29.026 tors. eta vs tors. theta energy: -33.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -561.974499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.974499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.974499 (E_RNA) where: Base-Base interactions energy: -326.320 where: short stacking energy: -163.897 Base-Backbone interact. energy: -2.795 local terms energy: -232.859139 where: bonds (distance) C4'-P energy: -56.978 bonds (distance) P-C4' energy: -61.612 flat angles C4'-P-C4' energy: -53.261 flat angles P-C4'-P energy: -32.972 tors. eta vs tors. theta energy: -28.037 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: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -516.946580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.946580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.946580 (E_RNA) where: Base-Base interactions energy: -274.980 where: short stacking energy: -159.880 Base-Backbone interact. energy: 1.603 local terms energy: -243.570440 where: bonds (distance) C4'-P energy: -51.087 bonds (distance) P-C4' energy: -71.226 flat angles C4'-P-C4' energy: -64.698 flat angles P-C4'-P energy: -27.095 tors. eta vs tors. theta energy: -29.464 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: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -440.799992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.799992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.799992 (E_RNA) where: Base-Base interactions energy: -217.078 where: short stacking energy: -124.307 Base-Backbone interact. energy: 0.489 local terms energy: -224.211358 where: bonds (distance) C4'-P energy: -50.175 bonds (distance) P-C4' energy: -65.908 flat angles C4'-P-C4' energy: -56.695 flat angles P-C4'-P energy: -37.517 tors. eta vs tors. theta energy: -13.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1038.069879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.069879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.069879 (E_RNA) where: Base-Base interactions energy: -690.831 where: short stacking energy: -313.290 Base-Backbone interact. energy: -0.281 local terms energy: -346.957510 where: bonds (distance) C4'-P energy: -59.329 bonds (distance) P-C4' energy: -69.335 flat angles C4'-P-C4' energy: -74.357 flat angles P-C4'-P energy: -54.268 tors. eta vs tors. theta energy: -89.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -936.390232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.390232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.390232 (E_RNA) where: Base-Base interactions energy: -590.676 where: short stacking energy: -308.395 Base-Backbone interact. energy: -2.270 local terms energy: -343.444709 where: bonds (distance) C4'-P energy: -69.610 bonds (distance) P-C4' energy: -67.414 flat angles C4'-P-C4' energy: -69.653 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: -89.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -796.570183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.570183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.570183 (E_RNA) where: Base-Base interactions energy: -512.064 where: short stacking energy: -243.641 Base-Backbone interact. energy: 0.588 local terms energy: -285.093873 where: bonds (distance) C4'-P energy: -59.961 bonds (distance) P-C4' energy: -64.682 flat angles C4'-P-C4' energy: -66.856 flat angles P-C4'-P energy: -43.256 tors. eta vs tors. theta energy: -50.339 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: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -747.275007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.275007 (E_RNA) where: Base-Base interactions energy: -433.357 where: short stacking energy: -230.723 Base-Backbone interact. energy: 1.436 local terms energy: -315.354001 where: bonds (distance) C4'-P energy: -61.319 bonds (distance) P-C4' energy: -65.367 flat angles C4'-P-C4' energy: -79.324 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -61.030 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: 7 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -703.721171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.721171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.721171 (E_RNA) where: Base-Base interactions energy: -418.022 where: short stacking energy: -214.986 Base-Backbone interact. energy: -0.073 local terms energy: -285.625784 where: bonds (distance) C4'-P energy: -54.076 bonds (distance) P-C4' energy: -63.433 flat angles C4'-P-C4' energy: -70.849 flat angles P-C4'-P energy: -33.729 tors. eta vs tors. theta energy: -63.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -671.385478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.385478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.385478 (E_RNA) where: Base-Base interactions energy: -402.755 where: short stacking energy: -204.287 Base-Backbone interact. energy: -1.507 local terms energy: -267.124266 where: bonds (distance) C4'-P energy: -71.199 bonds (distance) P-C4' energy: -59.008 flat angles C4'-P-C4' energy: -63.329 flat angles P-C4'-P energy: -37.098 tors. eta vs tors. theta energy: -36.491 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: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -593.635346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.635346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.635346 (E_RNA) where: Base-Base interactions energy: -343.161 where: short stacking energy: -168.284 Base-Backbone interact. energy: -0.263 local terms energy: -250.211075 where: bonds (distance) C4'-P energy: -61.366 bonds (distance) P-C4' energy: -61.518 flat angles C4'-P-C4' energy: -53.497 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: -35.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -494.788778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.788778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.788778 (E_RNA) where: Base-Base interactions energy: -270.154 where: short stacking energy: -160.654 Base-Backbone interact. energy: 0.274 local terms energy: -224.909259 where: bonds (distance) C4'-P energy: -66.970 bonds (distance) P-C4' energy: -57.661 flat angles C4'-P-C4' energy: -44.417 flat angles P-C4'-P energy: -33.527 tors. eta vs tors. theta energy: -22.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -448.470688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.470688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.470688 (E_RNA) where: Base-Base interactions energy: -252.455 where: short stacking energy: -147.497 Base-Backbone interact. energy: 1.580 local terms energy: -197.596059 where: bonds (distance) C4'-P energy: -57.894 bonds (distance) P-C4' energy: -70.971 flat angles C4'-P-C4' energy: -39.380 flat angles P-C4'-P energy: -22.517 tors. eta vs tors. theta energy: -6.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 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: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1058.976161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.976161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.976161 (E_RNA) where: Base-Base interactions energy: -689.883 where: short stacking energy: -304.886 Base-Backbone interact. energy: 0.585 local terms energy: -369.677795 where: bonds (distance) C4'-P energy: -66.273 bonds (distance) P-C4' energy: -80.554 flat angles C4'-P-C4' energy: -77.718 flat angles P-C4'-P energy: -50.395 tors. eta vs tors. theta energy: -94.737 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: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -971.828605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.828605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.828605 (E_RNA) where: Base-Base interactions energy: -612.770 where: short stacking energy: -300.246 Base-Backbone interact. energy: -3.826 local terms energy: -355.233032 where: bonds (distance) C4'-P energy: -79.133 bonds (distance) P-C4' energy: -74.663 flat angles C4'-P-C4' energy: -66.258 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: -91.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -857.434728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.434728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.434728 (E_RNA) where: Base-Base interactions energy: -540.037 where: short stacking energy: -276.840 Base-Backbone interact. energy: -0.247 local terms energy: -317.151083 where: bonds (distance) C4'-P energy: -68.477 bonds (distance) P-C4' energy: -64.144 flat angles C4'-P-C4' energy: -75.882 flat angles P-C4'-P energy: -52.229 tors. eta vs tors. theta energy: -56.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -794.224403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.224403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.224403 (E_RNA) where: Base-Base interactions energy: -492.973 where: short stacking energy: -242.301 Base-Backbone interact. energy: -2.455 local terms energy: -298.797067 where: bonds (distance) C4'-P energy: -64.597 bonds (distance) P-C4' energy: -67.323 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -52.050 tors. eta vs tors. theta energy: -48.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -702.995666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.995666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.995666 (E_RNA) where: Base-Base interactions energy: -421.227 where: short stacking energy: -206.394 Base-Backbone interact. energy: -1.430 local terms energy: -280.338005 where: bonds (distance) C4'-P energy: -71.104 bonds (distance) P-C4' energy: -61.981 flat angles C4'-P-C4' energy: -63.347 flat angles P-C4'-P energy: -37.804 tors. eta vs tors. theta energy: -46.102 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: 19 Temperature: 1.150000 Total energy: -634.915993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.915993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.915993 (E_RNA) where: Base-Base interactions energy: -370.031 where: short stacking energy: -175.963 Base-Backbone interact. energy: 0.932 local terms energy: -265.816706 where: bonds (distance) C4'-P energy: -61.228 bonds (distance) P-C4' energy: -65.835 flat angles C4'-P-C4' energy: -57.642 flat angles P-C4'-P energy: -51.690 tors. eta vs tors. theta energy: -29.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -611.798339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.798339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.798339 (E_RNA) where: Base-Base interactions energy: -352.943 where: short stacking energy: -202.627 Base-Backbone interact. energy: -0.810 local terms energy: -258.044986 where: bonds (distance) C4'-P energy: -61.681 bonds (distance) P-C4' energy: -63.232 flat angles C4'-P-C4' energy: -64.942 flat angles P-C4'-P energy: -28.978 tors. eta vs tors. theta energy: -39.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -576.071817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.071817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.071817 (E_RNA) where: Base-Base interactions energy: -334.374 where: short stacking energy: -169.020 Base-Backbone interact. energy: 0.855 local terms energy: -242.552346 where: bonds (distance) C4'-P energy: -57.454 bonds (distance) P-C4' energy: -65.179 flat angles C4'-P-C4' energy: -61.417 flat angles P-C4'-P energy: -21.579 tors. eta vs tors. theta energy: -36.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -409.775399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.775399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.775399 (E_RNA) where: Base-Base interactions energy: -220.281 where: short stacking energy: -137.459 Base-Backbone interact. energy: 1.290 local terms energy: -190.784363 where: bonds (distance) C4'-P energy: -52.925 bonds (distance) P-C4' energy: -50.978 flat angles C4'-P-C4' energy: -49.413 flat angles P-C4'-P energy: -32.305 tors. eta vs tors. theta energy: -5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1043.328535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.328535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.328535 (E_RNA) where: Base-Base interactions energy: -684.353 where: short stacking energy: -329.385 Base-Backbone interact. energy: -0.714 local terms energy: -358.261840 where: bonds (distance) C4'-P energy: -70.782 bonds (distance) P-C4' energy: -76.256 flat angles C4'-P-C4' energy: -74.375 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -86.897 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: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -985.848206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.848206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.848206 (E_RNA) where: Base-Base interactions energy: -624.217 where: short stacking energy: -320.863 Base-Backbone interact. energy: -1.498 local terms energy: -360.132820 where: bonds (distance) C4'-P energy: -73.778 bonds (distance) P-C4' energy: -77.792 flat angles C4'-P-C4' energy: -74.844 flat angles P-C4'-P energy: -45.311 tors. eta vs tors. theta energy: -88.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -887.578856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.578856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.578856 (E_RNA) where: Base-Base interactions energy: -563.811 where: short stacking energy: -272.817 Base-Backbone interact. energy: 0.507 local terms energy: -324.275112 where: bonds (distance) C4'-P energy: -58.193 bonds (distance) P-C4' energy: -61.728 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -52.409 tors. eta vs tors. theta energy: -80.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -750.625552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.625552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.625552 (E_RNA) where: Base-Base interactions energy: -451.519 where: short stacking energy: -230.342 Base-Backbone interact. energy: -1.335 local terms energy: -297.771584 where: bonds (distance) C4'-P energy: -61.415 bonds (distance) P-C4' energy: -74.693 flat angles C4'-P-C4' energy: -72.179 flat angles P-C4'-P energy: -39.125 tors. eta vs tors. theta energy: -50.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -763.132146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.132146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.132146 (E_RNA) where: Base-Base interactions energy: -471.154 where: short stacking energy: -271.720 Base-Backbone interact. energy: 0.162 local terms energy: -292.140201 where: bonds (distance) C4'-P energy: -52.980 bonds (distance) P-C4' energy: -68.284 flat angles C4'-P-C4' energy: -61.313 flat angles P-C4'-P energy: -48.195 tors. eta vs tors. theta energy: -61.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -602.670258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.670258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.670258 (E_RNA) where: Base-Base interactions energy: -372.241 where: short stacking energy: -183.684 Base-Backbone interact. energy: 0.637 local terms energy: -231.065869 where: bonds (distance) C4'-P energy: -65.447 bonds (distance) P-C4' energy: -60.223 flat angles C4'-P-C4' energy: -61.909 flat angles P-C4'-P energy: -23.493 tors. eta vs tors. theta energy: -19.994 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: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -585.711816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.711816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.711816 (E_RNA) where: Base-Base interactions energy: -320.907 where: short stacking energy: -165.542 Base-Backbone interact. energy: -0.611 local terms energy: -264.193660 where: bonds (distance) C4'-P energy: -67.398 bonds (distance) P-C4' energy: -62.610 flat angles C4'-P-C4' energy: -66.270 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -26.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -550.443458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.443458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.443458 (E_RNA) where: Base-Base interactions energy: -306.931 where: short stacking energy: -159.794 Base-Backbone interact. energy: -1.724 local terms energy: -241.788986 where: bonds (distance) C4'-P energy: -59.424 bonds (distance) P-C4' energy: -55.955 flat angles C4'-P-C4' energy: -61.195 flat angles P-C4'-P energy: -35.918 tors. eta vs tors. theta energy: -29.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -418.847197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.847197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.847197 (E_RNA) where: Base-Base interactions energy: -193.615 where: short stacking energy: -116.977 Base-Backbone interact. energy: 0.668 local terms energy: -225.899478 where: bonds (distance) C4'-P energy: -67.802 bonds (distance) P-C4' energy: -61.700 flat angles C4'-P-C4' energy: -46.400 flat angles P-C4'-P energy: -31.553 tors. eta vs tors. theta energy: -18.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1050.871881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.871881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.871881 (E_RNA) where: Base-Base interactions energy: -711.689 where: short stacking energy: -332.544 Base-Backbone interact. energy: 0.205 local terms energy: -339.387470 where: bonds (distance) C4'-P energy: -58.379 bonds (distance) P-C4' energy: -64.553 flat angles C4'-P-C4' energy: -74.097 flat angles P-C4'-P energy: -55.304 tors. eta vs tors. theta energy: -87.055 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: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -965.403305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.403305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.403305 (E_RNA) where: Base-Base interactions energy: -622.839 where: short stacking energy: -314.770 Base-Backbone interact. energy: -2.645 local terms energy: -339.919404 where: bonds (distance) C4'-P energy: -69.107 bonds (distance) P-C4' energy: -70.673 flat angles C4'-P-C4' energy: -73.659 flat angles P-C4'-P energy: -38.966 tors. eta vs tors. theta energy: -87.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -908.901567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.901567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.901567 (E_RNA) where: Base-Base interactions energy: -581.211 where: short stacking energy: -291.588 Base-Backbone interact. energy: -2.492 local terms energy: -325.198633 where: bonds (distance) C4'-P energy: -68.034 bonds (distance) P-C4' energy: -71.936 flat angles C4'-P-C4' energy: -71.334 flat angles P-C4'-P energy: -44.383 tors. eta vs tors. theta energy: -69.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -820.419531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.419531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.419531 (E_RNA) where: Base-Base interactions energy: -535.767 where: short stacking energy: -269.256 Base-Backbone interact. energy: -3.784 local terms energy: -280.868688 where: bonds (distance) C4'-P energy: -61.368 bonds (distance) P-C4' energy: -57.291 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -38.933 tors. eta vs tors. theta energy: -55.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -713.370167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.370167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.370167 (E_RNA) where: Base-Base interactions energy: -443.603 where: short stacking energy: -225.088 Base-Backbone interact. energy: -1.103 local terms energy: -268.664598 where: bonds (distance) C4'-P energy: -59.101 bonds (distance) P-C4' energy: -62.960 flat angles C4'-P-C4' energy: -59.076 flat angles P-C4'-P energy: -42.271 tors. eta vs tors. theta energy: -45.256 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: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -656.688239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.688239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.688239 (E_RNA) where: Base-Base interactions energy: -404.991 where: short stacking energy: -206.648 Base-Backbone interact. energy: 0.656 local terms energy: -252.353360 where: bonds (distance) C4'-P energy: -53.199 bonds (distance) P-C4' energy: -66.635 flat angles C4'-P-C4' energy: -67.506 flat angles P-C4'-P energy: -35.080 tors. eta vs tors. theta energy: -29.934 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: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -560.175757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.175757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.175757 (E_RNA) where: Base-Base interactions energy: -292.488 where: short stacking energy: -153.777 Base-Backbone interact. energy: -0.812 local terms energy: -266.875953 where: bonds (distance) C4'-P energy: -64.184 bonds (distance) P-C4' energy: -65.699 flat angles C4'-P-C4' energy: -58.095 flat angles P-C4'-P energy: -43.553 tors. eta vs tors. theta energy: -35.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -558.406223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.406223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.406223 (E_RNA) where: Base-Base interactions energy: -312.723 where: short stacking energy: -150.180 Base-Backbone interact. energy: 0.053 local terms energy: -245.736135 where: bonds (distance) C4'-P energy: -54.631 bonds (distance) P-C4' energy: -70.065 flat angles C4'-P-C4' energy: -55.504 flat angles P-C4'-P energy: -41.609 tors. eta vs tors. theta energy: -23.927 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: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -480.716840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.716840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.716840 (E_RNA) where: Base-Base interactions energy: -254.346 where: short stacking energy: -146.865 Base-Backbone interact. energy: 2.460 local terms energy: -228.830677 where: bonds (distance) C4'-P energy: -58.914 bonds (distance) P-C4' energy: -58.435 flat angles C4'-P-C4' energy: -60.605 flat angles P-C4'-P energy: -37.989 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: 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: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1064.712687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.712687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.712687 (E_RNA) where: Base-Base interactions energy: -704.908 where: short stacking energy: -321.708 Base-Backbone interact. energy: -0.967 local terms energy: -358.838250 where: bonds (distance) C4'-P energy: -73.128 bonds (distance) P-C4' energy: -71.371 flat angles C4'-P-C4' energy: -85.459 flat angles P-C4'-P energy: -42.063 tors. eta vs tors. theta energy: -86.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -963.116325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.116325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.116325 (E_RNA) where: Base-Base interactions energy: -618.989 where: short stacking energy: -292.101 Base-Backbone interact. energy: -0.822 local terms energy: -343.304795 where: bonds (distance) C4'-P energy: -69.077 bonds (distance) P-C4' energy: -73.688 flat angles C4'-P-C4' energy: -79.179 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -74.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -889.264497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.264497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.264497 (E_RNA) where: Base-Base interactions energy: -569.948 where: short stacking energy: -281.175 Base-Backbone interact. energy: -1.061 local terms energy: -318.255826 where: bonds (distance) C4'-P energy: -53.750 bonds (distance) P-C4' energy: -72.329 flat angles C4'-P-C4' energy: -69.286 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: -69.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -807.285519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.285519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.285519 (E_RNA) where: Base-Base interactions energy: -518.514 where: short stacking energy: -263.081 Base-Backbone interact. energy: -0.449 local terms energy: -288.322961 where: bonds (distance) C4'-P energy: -64.019 bonds (distance) P-C4' energy: -52.683 flat angles C4'-P-C4' energy: -63.870 flat angles P-C4'-P energy: -44.727 tors. eta vs tors. theta energy: -63.024 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: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -713.959236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.959236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.959236 (E_RNA) where: Base-Base interactions energy: -438.826 where: short stacking energy: -212.937 Base-Backbone interact. energy: -0.761 local terms energy: -274.372500 where: bonds (distance) C4'-P energy: -62.785 bonds (distance) P-C4' energy: -68.306 flat angles C4'-P-C4' energy: -62.223 flat angles P-C4'-P energy: -34.347 tors. eta vs tors. theta energy: -46.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -714.345847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.345847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.345847 (E_RNA) where: Base-Base interactions energy: -445.036 where: short stacking energy: -214.315 Base-Backbone interact. energy: -1.327 local terms energy: -267.982996 where: bonds (distance) C4'-P energy: -65.471 bonds (distance) P-C4' energy: -66.672 flat angles C4'-P-C4' energy: -60.509 flat angles P-C4'-P energy: -32.262 tors. eta vs tors. theta energy: -43.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -612.025465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.025465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.025465 (E_RNA) where: Base-Base interactions energy: -364.591 where: short stacking energy: -162.072 Base-Backbone interact. energy: -0.982 local terms energy: -246.452705 where: bonds (distance) C4'-P energy: -63.258 bonds (distance) P-C4' energy: -67.256 flat angles C4'-P-C4' energy: -60.442 flat angles P-C4'-P energy: -33.038 tors. eta vs tors. theta energy: -22.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -528.797968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.797968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.797968 (E_RNA) where: Base-Base interactions energy: -305.777 where: short stacking energy: -156.759 Base-Backbone interact. energy: 0.698 local terms energy: -223.718622 where: bonds (distance) C4'-P energy: -63.395 bonds (distance) P-C4' energy: -60.311 flat angles C4'-P-C4' energy: -56.189 flat angles P-C4'-P energy: -28.053 tors. eta vs tors. theta energy: -15.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -499.235939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.235939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.235939 (E_RNA) where: Base-Base interactions energy: -271.666 where: short stacking energy: -151.230 Base-Backbone interact. energy: 0.477 local terms energy: -228.047665 where: bonds (distance) C4'-P energy: -51.512 bonds (distance) P-C4' energy: -62.555 flat angles C4'-P-C4' energy: -62.722 flat angles P-C4'-P energy: -33.067 tors. eta vs tors. theta energy: -18.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1057.227672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.227672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.227672 (E_RNA) where: Base-Base interactions energy: -696.893 where: short stacking energy: -334.990 Base-Backbone interact. energy: -0.594 local terms energy: -359.740590 where: bonds (distance) C4'-P energy: -74.383 bonds (distance) P-C4' energy: -72.145 flat angles C4'-P-C4' energy: -75.836 flat angles P-C4'-P energy: -48.659 tors. eta vs tors. theta energy: -88.718 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: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -949.796814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.796814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.796814 (E_RNA) where: Base-Base interactions energy: -630.232 where: short stacking energy: -296.645 Base-Backbone interact. energy: -0.670 local terms energy: -318.894789 where: bonds (distance) C4'-P energy: -59.198 bonds (distance) P-C4' energy: -66.427 flat angles C4'-P-C4' energy: -68.978 flat angles P-C4'-P energy: -50.946 tors. eta vs tors. theta energy: -73.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -901.076351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.076351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.076351 (E_RNA) where: Base-Base interactions energy: -586.643 where: short stacking energy: -288.331 Base-Backbone interact. energy: -2.387 local terms energy: -312.046769 where: bonds (distance) C4'-P energy: -57.748 bonds (distance) P-C4' energy: -66.076 flat angles C4'-P-C4' energy: -65.654 flat angles P-C4'-P energy: -47.557 tors. eta vs tors. theta energy: -75.012 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: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -815.658466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.658466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.658466 (E_RNA) where: Base-Base interactions energy: -503.233 where: short stacking energy: -244.272 Base-Backbone interact. energy: 0.703 local terms energy: -313.129044 where: bonds (distance) C4'-P energy: -63.610 bonds (distance) P-C4' energy: -72.123 flat angles C4'-P-C4' energy: -62.623 flat angles P-C4'-P energy: -48.616 tors. eta vs tors. theta energy: -66.157 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: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -706.657157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.657157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.657157 (E_RNA) where: Base-Base interactions energy: -420.330 where: short stacking energy: -228.058 Base-Backbone interact. energy: -1.595 local terms energy: -284.731877 where: bonds (distance) C4'-P energy: -52.207 bonds (distance) P-C4' energy: -71.973 flat angles C4'-P-C4' energy: -57.641 flat angles P-C4'-P energy: -49.128 tors. eta vs tors. theta energy: -53.783 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: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -672.176580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.176580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.176580 (E_RNA) where: Base-Base interactions energy: -401.206 where: short stacking energy: -195.979 Base-Backbone interact. energy: -0.411 local terms energy: -270.559164 where: bonds (distance) C4'-P energy: -65.355 bonds (distance) P-C4' energy: -63.963 flat angles C4'-P-C4' energy: -67.036 flat angles P-C4'-P energy: -42.156 tors. eta vs tors. theta energy: -32.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -620.319107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.319107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.319107 (E_RNA) where: Base-Base interactions energy: -379.054 where: short stacking energy: -192.350 Base-Backbone interact. energy: 2.217 local terms energy: -243.482363 where: bonds (distance) C4'-P energy: -62.416 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -54.445 flat angles P-C4'-P energy: -26.651 tors. eta vs tors. theta energy: -33.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -515.518747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.518747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.518747 (E_RNA) where: Base-Base interactions energy: -271.569 where: short stacking energy: -144.961 Base-Backbone interact. energy: -1.267 local terms energy: -242.682985 where: bonds (distance) C4'-P energy: -55.711 bonds (distance) P-C4' energy: -68.475 flat angles C4'-P-C4' energy: -56.061 flat angles P-C4'-P energy: -37.223 tors. eta vs tors. theta energy: -25.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -475.200053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.200053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.200053 (E_RNA) where: Base-Base interactions energy: -266.934 where: short stacking energy: -119.406 Base-Backbone interact. energy: -1.882 local terms energy: -206.383801 where: bonds (distance) C4'-P energy: -53.340 bonds (distance) P-C4' energy: -58.544 flat angles C4'-P-C4' energy: -54.350 flat angles P-C4'-P energy: -26.836 tors. eta vs tors. theta energy: -13.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1050.652490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.652490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.652490 (E_RNA) where: Base-Base interactions energy: -719.216 where: short stacking energy: -334.006 Base-Backbone interact. energy: -2.763 local terms energy: -328.673838 where: bonds (distance) C4'-P energy: -59.270 bonds (distance) P-C4' energy: -55.408 flat angles C4'-P-C4' energy: -77.452 flat angles P-C4'-P energy: -48.972 tors. eta vs tors. theta energy: -87.572 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: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -955.270737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.270737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.270737 (E_RNA) where: Base-Base interactions energy: -612.194 where: short stacking energy: -297.689 Base-Backbone interact. energy: 0.955 local terms energy: -344.031366 where: bonds (distance) C4'-P energy: -67.000 bonds (distance) P-C4' energy: -72.264 flat angles C4'-P-C4' energy: -77.344 flat angles P-C4'-P energy: -50.851 tors. eta vs tors. theta energy: -76.573 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: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -886.556917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.556917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.556917 (E_RNA) where: Base-Base interactions energy: -569.656 where: short stacking energy: -278.339 Base-Backbone interact. energy: -1.602 local terms energy: -315.298240 where: bonds (distance) C4'-P energy: -62.270 bonds (distance) P-C4' energy: -50.042 flat angles C4'-P-C4' energy: -73.760 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -78.835 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: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -849.349141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.349141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.349141 (E_RNA) where: Base-Base interactions energy: -540.762 where: short stacking energy: -274.168 Base-Backbone interact. energy: -1.529 local terms energy: -307.057607 where: bonds (distance) C4'-P energy: -69.640 bonds (distance) P-C4' energy: -62.899 flat angles C4'-P-C4' energy: -71.446 flat angles P-C4'-P energy: -32.476 tors. eta vs tors. theta energy: -70.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -722.063898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.063898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.063898 (E_RNA) where: Base-Base interactions energy: -436.083 where: short stacking energy: -231.202 Base-Backbone interact. energy: -2.078 local terms energy: -283.902112 where: bonds (distance) C4'-P energy: -69.751 bonds (distance) P-C4' energy: -69.245 flat angles C4'-P-C4' energy: -66.329 flat angles P-C4'-P energy: -37.165 tors. eta vs tors. theta energy: -41.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -666.353650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.353650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.353650 (E_RNA) where: Base-Base interactions energy: -404.465 where: short stacking energy: -224.091 Base-Backbone interact. energy: 0.336 local terms energy: -262.224468 where: bonds (distance) C4'-P energy: -56.248 bonds (distance) P-C4' energy: -70.452 flat angles C4'-P-C4' energy: -61.656 flat angles P-C4'-P energy: -35.306 tors. eta vs tors. theta energy: -38.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -623.239395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.239395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.239395 (E_RNA) where: Base-Base interactions energy: -372.878 where: short stacking energy: -186.180 Base-Backbone interact. energy: -0.527 local terms energy: -249.833799 where: bonds (distance) C4'-P energy: -63.784 bonds (distance) P-C4' energy: -66.690 flat angles C4'-P-C4' energy: -53.435 flat angles P-C4'-P energy: -32.127 tors. eta vs tors. theta energy: -33.799 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: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -502.211068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.211068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.211068 (E_RNA) where: Base-Base interactions energy: -277.082 where: short stacking energy: -158.696 Base-Backbone interact. energy: -1.337 local terms energy: -223.791945 where: bonds (distance) C4'-P energy: -49.818 bonds (distance) P-C4' energy: -50.521 flat angles C4'-P-C4' energy: -59.323 flat angles P-C4'-P energy: -42.769 tors. eta vs tors. theta energy: -21.360 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: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -500.176881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.176881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.176881 (E_RNA) where: Base-Base interactions energy: -269.658 where: short stacking energy: -142.929 Base-Backbone interact. energy: -0.766 local terms energy: -229.752940 where: bonds (distance) C4'-P energy: -50.593 bonds (distance) P-C4' energy: -59.698 flat angles C4'-P-C4' energy: -65.963 flat angles P-C4'-P energy: -30.485 tors. eta vs tors. theta energy: -23.014 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: 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: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1064.432679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.432679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.432679 (E_RNA) where: Base-Base interactions energy: -708.079 where: short stacking energy: -340.969 Base-Backbone interact. energy: -0.260 local terms energy: -356.094149 where: bonds (distance) C4'-P energy: -79.476 bonds (distance) P-C4' energy: -71.770 flat angles C4'-P-C4' energy: -66.079 flat angles P-C4'-P energy: -48.763 tors. eta vs tors. theta energy: -90.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -983.861968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.861968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.861968 (E_RNA) where: Base-Base interactions energy: -630.616 where: short stacking energy: -330.001 Base-Backbone interact. energy: -0.174 local terms energy: -353.071888 where: bonds (distance) C4'-P energy: -63.457 bonds (distance) P-C4' energy: -66.282 flat angles C4'-P-C4' energy: -79.251 flat angles P-C4'-P energy: -52.909 tors. eta vs tors. theta energy: -91.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -905.739520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.739520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.739520 (E_RNA) where: Base-Base interactions energy: -579.122 where: short stacking energy: -290.374 Base-Backbone interact. energy: -0.484 local terms energy: -326.134117 where: bonds (distance) C4'-P energy: -69.071 bonds (distance) P-C4' energy: -61.748 flat angles C4'-P-C4' energy: -78.138 flat angles P-C4'-P energy: -45.857 tors. eta vs tors. theta energy: -71.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -835.626641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.626641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.626641 (E_RNA) where: Base-Base interactions energy: -529.233 where: short stacking energy: -273.674 Base-Backbone interact. energy: -0.338 local terms energy: -306.055824 where: bonds (distance) C4'-P energy: -62.876 bonds (distance) P-C4' energy: -72.305 flat angles C4'-P-C4' energy: -66.659 flat angles P-C4'-P energy: -35.458 tors. eta vs tors. theta energy: -68.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -726.693481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.693481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.693481 (E_RNA) where: Base-Base interactions energy: -447.764 where: short stacking energy: -209.556 Base-Backbone interact. energy: -0.245 local terms energy: -278.684289 where: bonds (distance) C4'-P energy: -61.864 bonds (distance) P-C4' energy: -62.510 flat angles C4'-P-C4' energy: -68.197 flat angles P-C4'-P energy: -39.758 tors. eta vs tors. theta energy: -46.354 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: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -643.857280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.857280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.857280 (E_RNA) where: Base-Base interactions energy: -404.238 where: short stacking energy: -192.674 Base-Backbone interact. energy: 0.293 local terms energy: -239.912957 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -54.808 flat angles C4'-P-C4' energy: -57.871 flat angles P-C4'-P energy: -33.539 tors. eta vs tors. theta energy: -35.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -672.454702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.454702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.454702 (E_RNA) where: Base-Base interactions energy: -410.204 where: short stacking energy: -207.358 Base-Backbone interact. energy: -0.561 local terms energy: -261.689893 where: bonds (distance) C4'-P energy: -54.899 bonds (distance) P-C4' energy: -60.718 flat angles C4'-P-C4' energy: -59.686 flat angles P-C4'-P energy: -46.157 tors. eta vs tors. theta energy: -40.230 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: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -480.376244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.376244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.376244 (E_RNA) where: Base-Base interactions energy: -232.924 where: short stacking energy: -122.860 Base-Backbone interact. energy: 2.309 local terms energy: -249.761595 where: bonds (distance) C4'-P energy: -70.885 bonds (distance) P-C4' energy: -69.421 flat angles C4'-P-C4' energy: -55.037 flat angles P-C4'-P energy: -36.128 tors. eta vs tors. theta energy: -18.290 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: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -463.474635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.474635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.474635 (E_RNA) where: Base-Base interactions energy: -218.382 where: short stacking energy: -133.314 Base-Backbone interact. energy: -1.976 local terms energy: -243.116708 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -63.253 flat angles C4'-P-C4' energy: -61.059 flat angles P-C4'-P energy: -42.499 tors. eta vs tors. theta energy: -22.162 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: 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: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1060.443785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.443785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.443785 (E_RNA) where: Base-Base interactions energy: -697.840 where: short stacking energy: -331.313 Base-Backbone interact. energy: -0.102 local terms energy: -362.501524 where: bonds (distance) C4'-P energy: -74.594 bonds (distance) P-C4' energy: -61.531 flat angles C4'-P-C4' energy: -76.640 flat angles P-C4'-P energy: -59.027 tors. eta vs tors. theta energy: -90.711 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: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -985.180131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.180131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.180131 (E_RNA) where: Base-Base interactions energy: -617.787 where: short stacking energy: -323.200 Base-Backbone interact. energy: 0.171 local terms energy: -367.563555 where: bonds (distance) C4'-P energy: -72.343 bonds (distance) P-C4' energy: -73.179 flat angles C4'-P-C4' energy: -76.165 flat angles P-C4'-P energy: -53.406 tors. eta vs tors. theta energy: -92.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -887.416593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.416593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.416593 (E_RNA) where: Base-Base interactions energy: -556.592 where: short stacking energy: -276.100 Base-Backbone interact. energy: -0.781 local terms energy: -330.044190 where: bonds (distance) C4'-P energy: -60.333 bonds (distance) P-C4' energy: -64.264 flat angles C4'-P-C4' energy: -82.826 flat angles P-C4'-P energy: -51.344 tors. eta vs tors. theta energy: -71.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -857.061867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.061867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.061867 (E_RNA) where: Base-Base interactions energy: -537.998 where: short stacking energy: -287.964 Base-Backbone interact. energy: -0.705 local terms energy: -318.358242 where: bonds (distance) C4'-P energy: -48.791 bonds (distance) P-C4' energy: -62.449 flat angles C4'-P-C4' energy: -77.194 flat angles P-C4'-P energy: -48.154 tors. eta vs tors. theta energy: -81.770 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: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -721.222162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.222162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.222162 (E_RNA) where: Base-Base interactions energy: -453.234 where: short stacking energy: -210.854 Base-Backbone interact. energy: -0.691 local terms energy: -267.296899 where: bonds (distance) C4'-P energy: -61.082 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -66.273 flat angles P-C4'-P energy: -29.484 tors. eta vs tors. theta energy: -44.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -639.328521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.328521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.328521 (E_RNA) where: Base-Base interactions energy: -379.053 where: short stacking energy: -197.341 Base-Backbone interact. energy: 1.035 local terms energy: -261.310741 where: bonds (distance) C4'-P energy: -69.626 bonds (distance) P-C4' energy: -64.483 flat angles C4'-P-C4' energy: -54.737 flat angles P-C4'-P energy: -34.431 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: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -638.344160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.344160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.344160 (E_RNA) where: Base-Base interactions energy: -389.640 where: short stacking energy: -200.062 Base-Backbone interact. energy: -0.859 local terms energy: -247.845171 where: bonds (distance) C4'-P energy: -52.086 bonds (distance) P-C4' energy: -61.452 flat angles C4'-P-C4' energy: -52.863 flat angles P-C4'-P energy: -34.113 tors. eta vs tors. theta energy: -47.332 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: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -467.565865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.565865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.565865 (E_RNA) where: Base-Base interactions energy: -244.000 where: short stacking energy: -144.416 Base-Backbone interact. energy: -0.454 local terms energy: -223.112568 where: bonds (distance) C4'-P energy: -52.241 bonds (distance) P-C4' energy: -58.950 flat angles C4'-P-C4' energy: -52.733 flat angles P-C4'-P energy: -38.771 tors. eta vs tors. theta energy: -20.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -470.262727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.262727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.262727 (E_RNA) where: Base-Base interactions energy: -250.826 where: short stacking energy: -147.901 Base-Backbone interact. energy: -1.060 local terms energy: -218.376568 where: bonds (distance) C4'-P energy: -55.443 bonds (distance) P-C4' energy: -56.496 flat angles C4'-P-C4' energy: -54.327 flat angles P-C4'-P energy: -34.325 tors. eta vs tors. theta energy: -17.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -339.962781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.962781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.962781 (E_RNA) where: Base-Base interactions energy: -154.650 where: short stacking energy: -92.341 Base-Backbone interact. energy: -1.440 local terms energy: -183.872310 where: bonds (distance) C4'-P energy: -55.693 bonds (distance) P-C4' energy: -55.538 flat angles C4'-P-C4' energy: -61.101 flat angles P-C4'-P energy: -15.797 tors. eta vs tors. theta energy: 4.257 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: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1055.190415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.190415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.190415 (E_RNA) where: Base-Base interactions energy: -703.056 where: short stacking energy: -341.333 Base-Backbone interact. energy: -1.194 local terms energy: -350.940122 where: bonds (distance) C4'-P energy: -69.056 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -76.029 flat angles P-C4'-P energy: -44.475 tors. eta vs tors. theta energy: -94.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1001.446674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.446674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.446674 (E_RNA) where: Base-Base interactions energy: -639.920 where: short stacking energy: -322.107 Base-Backbone interact. energy: 0.594 local terms energy: -362.120441 where: bonds (distance) C4'-P energy: -69.850 bonds (distance) P-C4' energy: -71.410 flat angles C4'-P-C4' energy: -74.256 flat angles P-C4'-P energy: -48.842 tors. eta vs tors. theta energy: -97.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -880.563937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.563937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.563937 (E_RNA) where: Base-Base interactions energy: -557.596 where: short stacking energy: -250.139 Base-Backbone interact. energy: -2.303 local terms energy: -320.665050 where: bonds (distance) C4'-P energy: -75.087 bonds (distance) P-C4' energy: -69.443 flat angles C4'-P-C4' energy: -67.406 flat angles P-C4'-P energy: -46.862 tors. eta vs tors. theta energy: -61.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -863.252783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.252783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.252783 (E_RNA) where: Base-Base interactions energy: -560.767 where: short stacking energy: -267.857 Base-Backbone interact. energy: -1.406 local terms energy: -301.078984 where: bonds (distance) C4'-P energy: -56.227 bonds (distance) P-C4' energy: -62.640 flat angles C4'-P-C4' energy: -72.205 flat angles P-C4'-P energy: -46.382 tors. eta vs tors. theta energy: -63.625 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: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -760.218872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.218872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.218872 (E_RNA) where: Base-Base interactions energy: -463.332 where: short stacking energy: -229.574 Base-Backbone interact. energy: 1.960 local terms energy: -298.846330 where: bonds (distance) C4'-P energy: -58.809 bonds (distance) P-C4' energy: -63.971 flat angles C4'-P-C4' energy: -71.702 flat angles P-C4'-P energy: -42.880 tors. eta vs tors. theta energy: -61.485 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: 27 Temperature: 1.150000 Total energy: -690.581994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.581994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.581994 (E_RNA) where: Base-Base interactions energy: -404.916 where: short stacking energy: -215.350 Base-Backbone interact. energy: -1.297 local terms energy: -284.369417 where: bonds (distance) C4'-P energy: -65.170 bonds (distance) P-C4' energy: -73.698 flat angles C4'-P-C4' energy: -57.491 flat angles P-C4'-P energy: -39.445 tors. eta vs tors. theta energy: -48.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -667.751023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.751023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.751023 (E_RNA) where: Base-Base interactions energy: -424.401 where: short stacking energy: -203.816 Base-Backbone interact. energy: 0.218 local terms energy: -243.568026 where: bonds (distance) C4'-P energy: -53.186 bonds (distance) P-C4' energy: -61.156 flat angles C4'-P-C4' energy: -64.756 flat angles P-C4'-P energy: -25.589 tors. eta vs tors. theta energy: -38.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -483.503669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.503669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.503669 (E_RNA) where: Base-Base interactions energy: -267.533 where: short stacking energy: -145.629 Base-Backbone interact. energy: 0.996 local terms energy: -216.966950 where: bonds (distance) C4'-P energy: -47.452 bonds (distance) P-C4' energy: -68.186 flat angles C4'-P-C4' energy: -51.451 flat angles P-C4'-P energy: -25.543 tors. eta vs tors. theta energy: -24.335 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: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -450.328460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.328460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.328460 (E_RNA) where: Base-Base interactions energy: -221.495 where: short stacking energy: -115.782 Base-Backbone interact. energy: -0.365 local terms energy: -228.468243 where: bonds (distance) C4'-P energy: -66.668 bonds (distance) P-C4' energy: -53.214 flat angles C4'-P-C4' energy: -58.696 flat angles P-C4'-P energy: -34.575 tors. eta vs tors. theta energy: -15.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -326.023462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.023462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.023462 (E_RNA) where: Base-Base interactions energy: -152.851 where: short stacking energy: -90.506 Base-Backbone interact. energy: 1.951 local terms energy: -175.123822 where: bonds (distance) C4'-P energy: -55.568 bonds (distance) P-C4' energy: -50.328 flat angles C4'-P-C4' energy: -54.881 flat angles P-C4'-P energy: -20.448 tors. eta vs tors. theta energy: 6.101 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: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1054.121385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.121385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.121385 (E_RNA) where: Base-Base interactions energy: -707.131 where: short stacking energy: -320.020 Base-Backbone interact. energy: -0.187 local terms energy: -346.803110 where: bonds (distance) C4'-P energy: -69.423 bonds (distance) P-C4' energy: -71.620 flat angles C4'-P-C4' energy: -69.944 flat angles P-C4'-P energy: -45.809 tors. eta vs tors. theta energy: -90.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -977.045586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.045586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.045586 (E_RNA) where: Base-Base interactions energy: -617.020 where: short stacking energy: -306.918 Base-Backbone interact. energy: -0.481 local terms energy: -359.544749 where: bonds (distance) C4'-P energy: -68.767 bonds (distance) P-C4' energy: -73.577 flat angles C4'-P-C4' energy: -76.730 flat angles P-C4'-P energy: -46.040 tors. eta vs tors. theta energy: -94.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -908.292847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.292847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.292847 (E_RNA) where: Base-Base interactions energy: -571.727 where: short stacking energy: -264.564 Base-Backbone interact. energy: -2.281 local terms energy: -334.285159 where: bonds (distance) C4'-P energy: -72.459 bonds (distance) P-C4' energy: -75.814 flat angles C4'-P-C4' energy: -73.730 flat angles P-C4'-P energy: -46.519 tors. eta vs tors. theta energy: -65.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -876.208833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.208833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.208833 (E_RNA) where: Base-Base interactions energy: -576.950 where: short stacking energy: -291.637 Base-Backbone interact. energy: -3.247 local terms energy: -296.012047 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -62.935 flat angles C4'-P-C4' energy: -73.822 flat angles P-C4'-P energy: -33.700 tors. eta vs tors. theta energy: -68.599 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: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -755.711207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.711207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.711207 (E_RNA) where: Base-Base interactions energy: -459.382 where: short stacking energy: -225.730 Base-Backbone interact. energy: -0.381 local terms energy: -295.948537 where: bonds (distance) C4'-P energy: -55.090 bonds (distance) P-C4' energy: -72.157 flat angles C4'-P-C4' energy: -69.669 flat angles P-C4'-P energy: -43.986 tors. eta vs tors. theta energy: -55.046 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: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -642.904770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.904770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.904770 (E_RNA) where: Base-Base interactions energy: -376.308 where: short stacking energy: -212.275 Base-Backbone interact. energy: -1.296 local terms energy: -265.300751 where: bonds (distance) C4'-P energy: -62.485 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -65.759 flat angles P-C4'-P energy: -29.281 tors. eta vs tors. theta energy: -45.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -671.952921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.952921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.952921 (E_RNA) where: Base-Base interactions energy: -418.591 where: short stacking energy: -210.205 Base-Backbone interact. energy: -0.001 local terms energy: -253.361369 where: bonds (distance) C4'-P energy: -58.653 bonds (distance) P-C4' energy: -55.908 flat angles C4'-P-C4' energy: -57.934 flat angles P-C4'-P energy: -34.953 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: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -491.950885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.950885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.950885 (E_RNA) where: Base-Base interactions energy: -244.964 where: short stacking energy: -146.772 Base-Backbone interact. energy: -0.702 local terms energy: -246.284017 where: bonds (distance) C4'-P energy: -56.447 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -62.559 flat angles P-C4'-P energy: -26.760 tors. eta vs tors. theta energy: -29.222 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: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -471.736611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.736611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.736611 (E_RNA) where: Base-Base interactions energy: -270.546 where: short stacking energy: -146.981 Base-Backbone interact. energy: -0.124 local terms energy: -201.066733 where: bonds (distance) C4'-P energy: -49.277 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -38.113 flat angles P-C4'-P energy: -36.624 tors. eta vs tors. theta energy: -16.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -298.645939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.645939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.645939 (E_RNA) where: Base-Base interactions energy: -107.905 where: short stacking energy: -90.140 Base-Backbone interact. energy: -2.313 local terms energy: -188.427515 where: bonds (distance) C4'-P energy: -48.725 bonds (distance) P-C4' energy: -58.093 flat angles C4'-P-C4' energy: -58.242 flat angles P-C4'-P energy: -31.692 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: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1063.044761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.044761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.044761 (E_RNA) where: Base-Base interactions energy: -696.649 where: short stacking energy: -332.990 Base-Backbone interact. energy: -0.754 local terms energy: -365.641366 where: bonds (distance) C4'-P energy: -76.458 bonds (distance) P-C4' energy: -70.593 flat angles C4'-P-C4' energy: -77.783 flat angles P-C4'-P energy: -44.864 tors. eta vs tors. theta energy: -95.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -979.202925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.202925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.202925 (E_RNA) where: Base-Base interactions energy: -631.216 where: short stacking energy: -325.036 Base-Backbone interact. energy: 1.131 local terms energy: -349.117706 where: bonds (distance) C4'-P energy: -71.423 bonds (distance) P-C4' energy: -73.385 flat angles C4'-P-C4' energy: -71.621 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: -87.197 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: 3, replica: 4 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -966.824429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.824429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.824429 (E_RNA) where: Base-Base interactions energy: -646.453 where: short stacking energy: -298.010 Base-Backbone interact. energy: -0.880 local terms energy: -319.491913 where: bonds (distance) C4'-P energy: -68.207 bonds (distance) P-C4' energy: -69.418 flat angles C4'-P-C4' energy: -66.829 flat angles P-C4'-P energy: -31.443 tors. eta vs tors. theta energy: -83.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -816.154938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.154938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.154938 (E_RNA) where: Base-Base interactions energy: -523.485 where: short stacking energy: -249.855 Base-Backbone interact. energy: -1.235 local terms energy: -291.434955 where: bonds (distance) C4'-P energy: -54.672 bonds (distance) P-C4' energy: -66.041 flat angles C4'-P-C4' energy: -72.469 flat angles P-C4'-P energy: -47.942 tors. eta vs tors. theta energy: -50.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -728.846609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.846609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.846609 (E_RNA) where: Base-Base interactions energy: -440.386 where: short stacking energy: -224.314 Base-Backbone interact. energy: 0.475 local terms energy: -288.935714 where: bonds (distance) C4'-P energy: -66.365 bonds (distance) P-C4' energy: -71.164 flat angles C4'-P-C4' energy: -69.830 flat angles P-C4'-P energy: -37.103 tors. eta vs tors. theta energy: -44.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -697.171556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.171556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.171556 (E_RNA) where: Base-Base interactions energy: -451.184 where: short stacking energy: -222.082 Base-Backbone interact. energy: 2.442 local terms energy: -248.429430 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -54.345 flat angles C4'-P-C4' energy: -58.307 flat angles P-C4'-P energy: -31.398 tors. eta vs tors. theta energy: -45.943 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: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -695.790647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.790647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.790647 (E_RNA) where: Base-Base interactions energy: -435.555 where: short stacking energy: -210.574 Base-Backbone interact. energy: -3.655 local terms energy: -256.580287 where: bonds (distance) C4'-P energy: -55.921 bonds (distance) P-C4' energy: -53.812 flat angles C4'-P-C4' energy: -45.754 flat angles P-C4'-P energy: -48.521 tors. eta vs tors. theta energy: -52.573 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: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -580.174132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.174132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.174132 (E_RNA) where: Base-Base interactions energy: -343.262 where: short stacking energy: -186.728 Base-Backbone interact. energy: -0.575 local terms energy: -236.337925 where: bonds (distance) C4'-P energy: -52.474 bonds (distance) P-C4' energy: -61.766 flat angles C4'-P-C4' energy: -57.062 flat angles P-C4'-P energy: -35.380 tors. eta vs tors. theta energy: -29.656 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: 29 Temperature: 1.300000 Total energy: -442.478810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.478810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.478810 (E_RNA) where: Base-Base interactions energy: -218.966 where: short stacking energy: -132.580 Base-Backbone interact. energy: -1.349 local terms energy: -222.164387 where: bonds (distance) C4'-P energy: -52.553 bonds (distance) P-C4' energy: -64.246 flat angles C4'-P-C4' energy: -55.989 flat angles P-C4'-P energy: -32.781 tors. eta vs tors. theta energy: -16.595 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: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -285.932966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.932966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.932966 (E_RNA) where: Base-Base interactions energy: -97.969 where: short stacking energy: -90.291 Base-Backbone interact. energy: -0.924 local terms energy: -187.040236 where: bonds (distance) C4'-P energy: -59.832 bonds (distance) P-C4' energy: -53.840 flat angles C4'-P-C4' energy: -55.467 flat angles P-C4'-P energy: -31.539 tors. eta vs tors. theta energy: 13.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1073.541516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.541516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.541516 (E_RNA) where: Base-Base interactions energy: -720.094 where: short stacking energy: -335.457 Base-Backbone interact. energy: -1.642 local terms energy: -351.805838 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -64.483 flat angles C4'-P-C4' energy: -79.855 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: -95.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -941.673656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.673656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.673656 (E_RNA) where: Base-Base interactions energy: -595.238 where: short stacking energy: -290.204 Base-Backbone interact. energy: -1.402 local terms energy: -345.033478 where: bonds (distance) C4'-P energy: -71.055 bonds (distance) P-C4' energy: -77.615 flat angles C4'-P-C4' energy: -78.021 flat angles P-C4'-P energy: -48.395 tors. eta vs tors. theta energy: -69.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -967.010647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.010647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.010647 (E_RNA) where: Base-Base interactions energy: -614.051 where: short stacking energy: -294.182 Base-Backbone interact. energy: -0.911 local terms energy: -352.049168 where: bonds (distance) C4'-P energy: -68.941 bonds (distance) P-C4' energy: -70.443 flat angles C4'-P-C4' energy: -76.622 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -87.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -815.218813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.218813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.218813 (E_RNA) where: Base-Base interactions energy: -509.602 where: short stacking energy: -254.324 Base-Backbone interact. energy: -2.059 local terms energy: -303.557315 where: bonds (distance) C4'-P energy: -60.658 bonds (distance) P-C4' energy: -68.579 flat angles C4'-P-C4' energy: -62.982 flat angles P-C4'-P energy: -48.346 tors. eta vs tors. theta energy: -62.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -727.485749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.485749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.485749 (E_RNA) where: Base-Base interactions energy: -430.993 where: short stacking energy: -204.531 Base-Backbone interact. energy: -2.182 local terms energy: -294.310376 where: bonds (distance) C4'-P energy: -69.427 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -71.420 flat angles P-C4'-P energy: -35.854 tors. eta vs tors. theta energy: -47.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -694.689431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.689431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.689431 (E_RNA) where: Base-Base interactions energy: -422.608 where: short stacking energy: -226.699 Base-Backbone interact. energy: -2.026 local terms energy: -270.055837 where: bonds (distance) C4'-P energy: -57.151 bonds (distance) P-C4' energy: -59.051 flat angles C4'-P-C4' energy: -66.983 flat angles P-C4'-P energy: -42.598 tors. eta vs tors. theta energy: -44.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -634.032202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.032202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.032202 (E_RNA) where: Base-Base interactions energy: -393.193 where: short stacking energy: -195.981 Base-Backbone interact. energy: 1.864 local terms energy: -242.703348 where: bonds (distance) C4'-P energy: -52.855 bonds (distance) P-C4' energy: -57.518 flat angles C4'-P-C4' energy: -60.082 flat angles P-C4'-P energy: -34.639 tors. eta vs tors. theta energy: -37.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -587.244323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.244323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.244323 (E_RNA) where: Base-Base interactions energy: -346.254 where: short stacking energy: -168.792 Base-Backbone interact. energy: 1.099 local terms energy: -242.088998 where: bonds (distance) C4'-P energy: -47.456 bonds (distance) P-C4' energy: -74.891 flat angles C4'-P-C4' energy: -61.819 flat angles P-C4'-P energy: -29.434 tors. eta vs tors. theta energy: -28.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -424.101337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.101337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.101337 (E_RNA) where: Base-Base interactions energy: -223.929 where: short stacking energy: -127.213 Base-Backbone interact. energy: 7.740 local terms energy: -207.912082 where: bonds (distance) C4'-P energy: -66.613 bonds (distance) P-C4' energy: -49.389 flat angles C4'-P-C4' energy: -57.533 flat angles P-C4'-P energy: -19.917 tors. eta vs tors. theta energy: -14.460 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: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -280.552469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.552469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.552469 (E_RNA) where: Base-Base interactions energy: -113.111 where: short stacking energy: -67.102 Base-Backbone interact. energy: -0.156 local terms energy: -167.285999 where: bonds (distance) C4'-P energy: -52.293 bonds (distance) P-C4' energy: -65.485 flat angles C4'-P-C4' energy: -34.898 flat angles P-C4'-P energy: -26.703 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: 1, replica: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1072.612954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.612954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.612954 (E_RNA) where: Base-Base interactions energy: -701.911 where: short stacking energy: -348.153 Base-Backbone interact. energy: -2.502 local terms energy: -368.199671 where: bonds (distance) C4'-P energy: -74.070 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -79.840 flat angles P-C4'-P energy: -54.115 tors. eta vs tors. theta energy: -96.316 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: 2, replica: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -966.777692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.777692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.777692 (E_RNA) where: Base-Base interactions energy: -616.529 where: short stacking energy: -311.456 Base-Backbone interact. energy: -1.917 local terms energy: -348.331085 where: bonds (distance) C4'-P energy: -67.097 bonds (distance) P-C4' energy: -61.076 flat angles C4'-P-C4' energy: -80.798 flat angles P-C4'-P energy: -49.568 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: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -966.416185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.416185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.416185 (E_RNA) where: Base-Base interactions energy: -639.260 where: short stacking energy: -311.649 Base-Backbone interact. energy: -0.159 local terms energy: -326.997544 where: bonds (distance) C4'-P energy: -54.626 bonds (distance) P-C4' energy: -65.464 flat angles C4'-P-C4' energy: -69.272 flat angles P-C4'-P energy: -49.217 tors. eta vs tors. theta energy: -88.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -749.799826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.799826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.799826 (E_RNA) where: Base-Base interactions energy: -465.722 where: short stacking energy: -227.297 Base-Backbone interact. energy: -1.585 local terms energy: -282.492299 where: bonds (distance) C4'-P energy: -72.571 bonds (distance) P-C4' energy: -67.062 flat angles C4'-P-C4' energy: -60.586 flat angles P-C4'-P energy: -34.669 tors. eta vs tors. theta energy: -47.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -761.834203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.834203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.834203 (E_RNA) where: Base-Base interactions energy: -474.090 where: short stacking energy: -222.818 Base-Backbone interact. energy: -1.855 local terms energy: -285.889819 where: bonds (distance) C4'-P energy: -64.131 bonds (distance) P-C4' energy: -68.733 flat angles C4'-P-C4' energy: -61.357 flat angles P-C4'-P energy: -38.329 tors. eta vs tors. theta energy: -53.340 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: 31 Temperature: 1.150000 Total energy: -701.165929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.165929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.165929 (E_RNA) where: Base-Base interactions energy: -424.510 where: short stacking energy: -196.320 Base-Backbone interact. energy: 0.492 local terms energy: -277.148418 where: bonds (distance) C4'-P energy: -54.726 bonds (distance) P-C4' energy: -64.330 flat angles C4'-P-C4' energy: -64.375 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: -46.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -622.167490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.167490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.167490 (E_RNA) where: Base-Base interactions energy: -367.925 where: short stacking energy: -176.162 Base-Backbone interact. energy: -1.600 local terms energy: -252.642378 where: bonds (distance) C4'-P energy: -71.393 bonds (distance) P-C4' energy: -65.939 flat angles C4'-P-C4' energy: -56.117 flat angles P-C4'-P energy: -33.616 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: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -541.177268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.177268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.177268 (E_RNA) where: Base-Base interactions energy: -314.115 where: short stacking energy: -158.521 Base-Backbone interact. energy: 0.002 local terms energy: -227.064602 where: bonds (distance) C4'-P energy: -52.627 bonds (distance) P-C4' energy: -72.765 flat angles C4'-P-C4' energy: -60.665 flat angles P-C4'-P energy: -25.474 tors. eta vs tors. theta energy: -15.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -412.443257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.443257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.443257 (E_RNA) where: Base-Base interactions energy: -214.200 where: short stacking energy: -105.506 Base-Backbone interact. energy: 1.153 local terms energy: -199.397166 where: bonds (distance) C4'-P energy: -37.752 bonds (distance) P-C4' energy: -64.052 flat angles C4'-P-C4' energy: -57.759 flat angles P-C4'-P energy: -33.656 tors. eta vs tors. theta energy: -6.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -289.750457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.750457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.750457 (E_RNA) where: Base-Base interactions energy: -112.119 where: short stacking energy: -86.979 Base-Backbone interact. energy: 4.791 local terms energy: -182.422774 where: bonds (distance) C4'-P energy: -57.364 bonds (distance) P-C4' energy: -54.789 flat angles C4'-P-C4' energy: -56.939 flat angles P-C4'-P energy: -25.658 tors. eta vs tors. theta energy: 12.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1060.309489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.309489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.309489 (E_RNA) where: Base-Base interactions energy: -709.957 where: short stacking energy: -327.735 Base-Backbone interact. energy: 1.255 local terms energy: -351.607103 where: bonds (distance) C4'-P energy: -68.984 bonds (distance) P-C4' energy: -68.600 flat angles C4'-P-C4' energy: -74.244 flat angles P-C4'-P energy: -46.847 tors. eta vs tors. theta energy: -92.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -974.807595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.807595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.807595 (E_RNA) where: Base-Base interactions energy: -615.714 where: short stacking energy: -322.447 Base-Backbone interact. energy: 0.425 local terms energy: -359.518298 where: bonds (distance) C4'-P energy: -63.077 bonds (distance) P-C4' energy: -71.336 flat angles C4'-P-C4' energy: -80.608 flat angles P-C4'-P energy: -47.565 tors. eta vs tors. theta energy: -96.933 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: 3, replica: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -955.962090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.962090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.962090 (E_RNA) where: Base-Base interactions energy: -613.651 where: short stacking energy: -293.362 Base-Backbone interact. energy: -0.147 local terms energy: -342.164345 where: bonds (distance) C4'-P energy: -63.063 bonds (distance) P-C4' energy: -75.739 flat angles C4'-P-C4' energy: -79.248 flat angles P-C4'-P energy: -42.910 tors. eta vs tors. theta energy: -81.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -765.116574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.116574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.116574 (E_RNA) where: Base-Base interactions energy: -469.366 where: short stacking energy: -216.205 Base-Backbone interact. energy: -2.466 local terms energy: -293.284467 where: bonds (distance) C4'-P energy: -69.570 bonds (distance) P-C4' energy: -67.513 flat angles C4'-P-C4' energy: -67.563 flat angles P-C4'-P energy: -38.512 tors. eta vs tors. theta energy: -50.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -747.051088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.051088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.051088 (E_RNA) where: Base-Base interactions energy: -459.695 where: short stacking energy: -234.775 Base-Backbone interact. energy: -1.615 local terms energy: -285.741097 where: bonds (distance) C4'-P energy: -65.202 bonds (distance) P-C4' energy: -67.487 flat angles C4'-P-C4' energy: -63.731 flat angles P-C4'-P energy: -36.704 tors. eta vs tors. theta energy: -52.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -736.456423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.456423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.456423 (E_RNA) where: Base-Base interactions energy: -454.902 where: short stacking energy: -238.786 Base-Backbone interact. energy: -0.593 local terms energy: -280.961741 where: bonds (distance) C4'-P energy: -62.257 bonds (distance) P-C4' energy: -67.578 flat angles C4'-P-C4' energy: -60.857 flat angles P-C4'-P energy: -36.309 tors. eta vs tors. theta energy: -53.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -622.915943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.915943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.915943 (E_RNA) where: Base-Base interactions energy: -384.083 where: short stacking energy: -194.092 Base-Backbone interact. energy: -1.406 local terms energy: -237.426685 where: bonds (distance) C4'-P energy: -45.454 bonds (distance) P-C4' energy: -61.352 flat angles C4'-P-C4' energy: -69.412 flat angles P-C4'-P energy: -27.461 tors. eta vs tors. theta energy: -33.747 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: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -518.009347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.009347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.009347 (E_RNA) where: Base-Base interactions energy: -285.729 where: short stacking energy: -141.738 Base-Backbone interact. energy: 3.000 local terms energy: -235.280305 where: bonds (distance) C4'-P energy: -62.836 bonds (distance) P-C4' energy: -73.152 flat angles C4'-P-C4' energy: -49.533 flat angles P-C4'-P energy: -40.943 tors. eta vs tors. theta energy: -8.816 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: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -303.833090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.833090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.833090 (E_RNA) where: Base-Base interactions energy: -111.340 where: short stacking energy: -102.194 Base-Backbone interact. energy: -1.097 local terms energy: -191.396054 where: bonds (distance) C4'-P energy: -55.872 bonds (distance) P-C4' energy: -53.630 flat angles C4'-P-C4' energy: -57.575 flat angles P-C4'-P energy: -25.666 tors. eta vs tors. theta energy: 1.347 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: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -361.224030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.224030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.224030 (E_RNA) where: Base-Base interactions energy: -169.949 where: short stacking energy: -114.617 Base-Backbone interact. energy: -1.704 local terms energy: -189.571652 where: bonds (distance) C4'-P energy: -57.567 bonds (distance) P-C4' energy: -53.999 flat angles C4'-P-C4' energy: -45.450 flat angles P-C4'-P energy: -30.622 tors. eta vs tors. theta energy: -1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1064.333897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.333897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.333897 (E_RNA) where: Base-Base interactions energy: -712.158 where: short stacking energy: -324.102 Base-Backbone interact. energy: -1.033 local terms energy: -351.143627 where: bonds (distance) C4'-P energy: -69.336 bonds (distance) P-C4' energy: -67.605 flat angles C4'-P-C4' energy: -82.123 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: -89.711 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: 33 Temperature: 0.950000 Total energy: -969.026071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.026071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.026071 (E_RNA) where: Base-Base interactions energy: -623.104 where: short stacking energy: -298.412 Base-Backbone interact. energy: -0.807 local terms energy: -345.115018 where: bonds (distance) C4'-P energy: -65.983 bonds (distance) P-C4' energy: -64.787 flat angles C4'-P-C4' energy: -79.465 flat angles P-C4'-P energy: -46.908 tors. eta vs tors. theta energy: -87.971 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: 3, replica: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -919.656423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.656423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.656423 (E_RNA) where: Base-Base interactions energy: -610.473 where: short stacking energy: -288.831 Base-Backbone interact. energy: -0.570 local terms energy: -308.613856 where: bonds (distance) C4'-P energy: -59.382 bonds (distance) P-C4' energy: -66.802 flat angles C4'-P-C4' energy: -62.156 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: -79.658 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: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -791.034387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.034387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.034387 (E_RNA) where: Base-Base interactions energy: -512.627 where: short stacking energy: -259.778 Base-Backbone interact. energy: 2.555 local terms energy: -280.962288 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -64.510 flat angles C4'-P-C4' energy: -63.747 flat angles P-C4'-P energy: -34.078 tors. eta vs tors. theta energy: -60.293 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: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -727.458438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.458438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.458438 (E_RNA) where: Base-Base interactions energy: -464.929 where: short stacking energy: -207.342 Base-Backbone interact. energy: -1.844 local terms energy: -260.686178 where: bonds (distance) C4'-P energy: -55.838 bonds (distance) P-C4' energy: -63.445 flat angles C4'-P-C4' energy: -61.362 flat angles P-C4'-P energy: -41.109 tors. eta vs tors. theta energy: -38.932 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: 9 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -718.238430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.238430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.238430 (E_RNA) where: Base-Base interactions energy: -440.081 where: short stacking energy: -230.042 Base-Backbone interact. energy: -1.265 local terms energy: -276.892804 where: bonds (distance) C4'-P energy: -54.989 bonds (distance) P-C4' energy: -57.913 flat angles C4'-P-C4' energy: -66.572 flat angles P-C4'-P energy: -37.080 tors. eta vs tors. theta energy: -60.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -619.381706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.381706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.381706 (E_RNA) where: Base-Base interactions energy: -365.419 where: short stacking energy: -183.622 Base-Backbone interact. energy: 0.148 local terms energy: -254.111512 where: bonds (distance) C4'-P energy: -66.585 bonds (distance) P-C4' energy: -57.845 flat angles C4'-P-C4' energy: -52.445 flat angles P-C4'-P energy: -34.114 tors. eta vs tors. theta energy: -43.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -558.500885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.500885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.500885 (E_RNA) where: Base-Base interactions energy: -336.021 where: short stacking energy: -172.773 Base-Backbone interact. energy: 2.250 local terms energy: -224.729342 where: bonds (distance) C4'-P energy: -48.677 bonds (distance) P-C4' energy: -60.400 flat angles C4'-P-C4' energy: -51.088 flat angles P-C4'-P energy: -35.304 tors. eta vs tors. theta energy: -29.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -309.836176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.836176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.836176 (E_RNA) where: Base-Base interactions energy: -135.761 where: short stacking energy: -91.821 Base-Backbone interact. energy: 2.975 local terms energy: -177.050171 where: bonds (distance) C4'-P energy: -57.833 bonds (distance) P-C4' energy: -55.565 flat angles C4'-P-C4' energy: -42.507 flat angles P-C4'-P energy: -21.412 tors. eta vs tors. theta energy: 0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -307.098385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.098385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.098385 (E_RNA) where: Base-Base interactions energy: -126.998 where: short stacking energy: -84.111 Base-Backbone interact. energy: -1.644 local terms energy: -178.455995 where: bonds (distance) C4'-P energy: -58.611 bonds (distance) P-C4' energy: -53.791 flat angles C4'-P-C4' energy: -53.582 flat angles P-C4'-P energy: -24.189 tors. eta vs tors. theta energy: 11.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1056.975374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.975374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.975374 (E_RNA) where: Base-Base interactions energy: -702.523 where: short stacking energy: -326.127 Base-Backbone interact. energy: -0.062 local terms energy: -354.390131 where: bonds (distance) C4'-P energy: -71.565 bonds (distance) P-C4' energy: -69.843 flat angles C4'-P-C4' energy: -68.437 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -93.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -969.561784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.561784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.561784 (E_RNA) where: Base-Base interactions energy: -620.052 where: short stacking energy: -329.930 Base-Backbone interact. energy: -1.481 local terms energy: -348.028949 where: bonds (distance) C4'-P energy: -59.390 bonds (distance) P-C4' energy: -66.886 flat angles C4'-P-C4' energy: -73.835 flat angles P-C4'-P energy: -51.647 tors. eta vs tors. theta energy: -96.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -977.516407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.516407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.516407 (E_RNA) where: Base-Base interactions energy: -627.346 where: short stacking energy: -312.901 Base-Backbone interact. energy: -1.273 local terms energy: -348.898033 where: bonds (distance) C4'-P energy: -67.219 bonds (distance) P-C4' energy: -67.766 flat angles C4'-P-C4' energy: -78.164 flat angles P-C4'-P energy: -41.028 tors. eta vs tors. theta energy: -94.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -754.240515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.240515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.240515 (E_RNA) where: Base-Base interactions energy: -486.824 where: short stacking energy: -231.960 Base-Backbone interact. energy: 0.285 local terms energy: -267.701073 where: bonds (distance) C4'-P energy: -56.271 bonds (distance) P-C4' energy: -65.897 flat angles C4'-P-C4' energy: -64.671 flat angles P-C4'-P energy: -30.303 tors. eta vs tors. theta energy: -50.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -767.022134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.022134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.022134 (E_RNA) where: Base-Base interactions energy: -485.849 where: short stacking energy: -228.537 Base-Backbone interact. energy: 0.544 local terms energy: -281.717537 where: bonds (distance) C4'-P energy: -65.891 bonds (distance) P-C4' energy: -70.710 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -31.389 tors. eta vs tors. theta energy: -46.042 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: 3 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -699.294460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.294460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.294460 (E_RNA) where: Base-Base interactions energy: -438.631 where: short stacking energy: -220.583 Base-Backbone interact. energy: 0.603 local terms energy: -261.266856 where: bonds (distance) C4'-P energy: -63.113 bonds (distance) P-C4' energy: -61.030 flat angles C4'-P-C4' energy: -58.631 flat angles P-C4'-P energy: -28.799 tors. eta vs tors. theta energy: -49.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -520.037538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.037538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.037538 (E_RNA) where: Base-Base interactions energy: -281.017 where: short stacking energy: -143.822 Base-Backbone interact. energy: -0.023 local terms energy: -238.997454 where: bonds (distance) C4'-P energy: -61.703 bonds (distance) P-C4' energy: -61.225 flat angles C4'-P-C4' energy: -56.870 flat angles P-C4'-P energy: -39.051 tors. eta vs tors. theta energy: -20.149 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: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -587.127766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.127766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.127766 (E_RNA) where: Base-Base interactions energy: -343.557 where: short stacking energy: -180.021 Base-Backbone interact. energy: 0.704 local terms energy: -244.274393 where: bonds (distance) C4'-P energy: -49.593 bonds (distance) P-C4' energy: -59.144 flat angles C4'-P-C4' energy: -63.281 flat angles P-C4'-P energy: -40.739 tors. eta vs tors. theta energy: -31.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -321.620553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.620553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.620553 (E_RNA) where: Base-Base interactions energy: -109.101 where: short stacking energy: -93.243 Base-Backbone interact. energy: -1.470 local terms energy: -211.050073 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -62.800 flat angles C4'-P-C4' energy: -46.174 flat angles P-C4'-P energy: -35.614 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -305.957865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.957865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.957865 (E_RNA) where: Base-Base interactions energy: -98.529 where: short stacking energy: -101.404 Base-Backbone interact. energy: 0.913 local terms energy: -208.342342 where: bonds (distance) C4'-P energy: -55.309 bonds (distance) P-C4' energy: -64.080 flat angles C4'-P-C4' energy: -51.896 flat angles P-C4'-P energy: -26.626 tors. eta vs tors. theta energy: -10.430 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: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1073.665955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.665955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.665955 (E_RNA) where: Base-Base interactions energy: -703.206 where: short stacking energy: -342.007 Base-Backbone interact. energy: -1.060 local terms energy: -369.399064 where: bonds (distance) C4'-P energy: -62.738 bonds (distance) P-C4' energy: -74.512 flat angles C4'-P-C4' energy: -77.992 flat angles P-C4'-P energy: -60.310 tors. eta vs tors. theta energy: -93.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1027.715140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.715140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.715140 (E_RNA) where: Base-Base interactions energy: -675.124 where: short stacking energy: -326.311 Base-Backbone interact. energy: -0.104 local terms energy: -352.486897 where: bonds (distance) C4'-P energy: -63.570 bonds (distance) P-C4' energy: -72.509 flat angles C4'-P-C4' energy: -81.957 flat angles P-C4'-P energy: -47.056 tors. eta vs tors. theta energy: -87.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -962.938761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.938761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.938761 (E_RNA) where: Base-Base interactions energy: -619.925 where: short stacking energy: -311.419 Base-Backbone interact. energy: 0.863 local terms energy: -343.876759 where: bonds (distance) C4'-P energy: -59.275 bonds (distance) P-C4' energy: -75.102 flat angles C4'-P-C4' energy: -73.774 flat angles P-C4'-P energy: -48.030 tors. eta vs tors. theta energy: -87.696 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: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -791.111914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.111914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.111914 (E_RNA) where: Base-Base interactions energy: -497.012 where: short stacking energy: -226.656 Base-Backbone interact. energy: -0.011 local terms energy: -294.089218 where: bonds (distance) C4'-P energy: -71.850 bonds (distance) P-C4' energy: -59.256 flat angles C4'-P-C4' energy: -68.294 flat angles P-C4'-P energy: -46.044 tors. eta vs tors. theta energy: -48.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -784.223027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.223027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.223027 (E_RNA) where: Base-Base interactions energy: -504.843 where: short stacking energy: -241.008 Base-Backbone interact. energy: -0.915 local terms energy: -278.464758 where: bonds (distance) C4'-P energy: -42.797 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -60.143 flat angles P-C4'-P energy: -50.844 tors. eta vs tors. theta energy: -60.481 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: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -681.381011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.381011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.381011 (E_RNA) where: Base-Base interactions energy: -407.768 where: short stacking energy: -197.562 Base-Backbone interact. energy: -1.402 local terms energy: -272.210333 where: bonds (distance) C4'-P energy: -63.410 bonds (distance) P-C4' energy: -67.141 flat angles C4'-P-C4' energy: -62.612 flat angles P-C4'-P energy: -38.039 tors. eta vs tors. theta energy: -41.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -555.168725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.168725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.168725 (E_RNA) where: Base-Base interactions energy: -318.061 where: short stacking energy: -174.945 Base-Backbone interact. energy: -2.476 local terms energy: -234.632242 where: bonds (distance) C4'-P energy: -52.181 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -56.485 flat angles P-C4'-P energy: -38.247 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: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -554.101701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.101701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.101701 (E_RNA) where: Base-Base interactions energy: -309.906 where: short stacking energy: -167.603 Base-Backbone interact. energy: -1.394 local terms energy: -242.801656 where: bonds (distance) C4'-P energy: -52.698 bonds (distance) P-C4' energy: -66.176 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -26.075 tors. eta vs tors. theta energy: -31.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -302.981479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.981479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.981479 (E_RNA) where: Base-Base interactions energy: -107.014 where: short stacking energy: -83.364 Base-Backbone interact. energy: -1.527 local terms energy: -194.440126 where: bonds (distance) C4'-P energy: -54.766 bonds (distance) P-C4' energy: -62.745 flat angles C4'-P-C4' energy: -57.560 flat angles P-C4'-P energy: -30.262 tors. eta vs tors. theta energy: 10.893 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: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -285.343278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.343278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.343278 (E_RNA) where: Base-Base interactions energy: -105.074 where: short stacking energy: -89.927 Base-Backbone interact. energy: 2.306 local terms energy: -182.576024 where: bonds (distance) C4'-P energy: -47.530 bonds (distance) P-C4' energy: -64.356 flat angles C4'-P-C4' energy: -46.368 flat angles P-C4'-P energy: -34.492 tors. eta vs tors. theta energy: 10.171 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: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1081.256159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.256159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.256159 (E_RNA) where: Base-Base interactions energy: -718.303 where: short stacking energy: -336.352 Base-Backbone interact. energy: 0.707 local terms energy: -363.659719 where: bonds (distance) C4'-P energy: -65.326 bonds (distance) P-C4' energy: -72.536 flat angles C4'-P-C4' energy: -81.504 flat angles P-C4'-P energy: -56.717 tors. eta vs tors. theta energy: -87.577 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: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1026.862527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.862527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.862527 (E_RNA) where: Base-Base interactions energy: -670.490 where: short stacking energy: -333.751 Base-Backbone interact. energy: -1.779 local terms energy: -354.593703 where: bonds (distance) C4'-P energy: -69.739 bonds (distance) P-C4' energy: -71.126 flat angles C4'-P-C4' energy: -68.793 flat angles P-C4'-P energy: -47.317 tors. eta vs tors. theta energy: -97.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -939.552824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.552824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.552824 (E_RNA) where: Base-Base interactions energy: -595.124 where: short stacking energy: -279.984 Base-Backbone interact. energy: 0.986 local terms energy: -345.415346 where: bonds (distance) C4'-P energy: -72.983 bonds (distance) P-C4' energy: -64.190 flat angles C4'-P-C4' energy: -69.536 flat angles P-C4'-P energy: -57.308 tors. eta vs tors. theta energy: -81.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -774.411517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.411517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.411517 (E_RNA) where: Base-Base interactions energy: -480.253 where: short stacking energy: -229.007 Base-Backbone interact. energy: 0.957 local terms energy: -295.114901 where: bonds (distance) C4'-P energy: -60.168 bonds (distance) P-C4' energy: -63.216 flat angles C4'-P-C4' energy: -73.381 flat angles P-C4'-P energy: -43.923 tors. eta vs tors. theta energy: -54.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -758.456810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.456810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.456810 (E_RNA) where: Base-Base interactions energy: -488.585 where: short stacking energy: -252.645 Base-Backbone interact. energy: -1.833 local terms energy: -268.039001 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -55.923 flat angles C4'-P-C4' energy: -61.028 flat angles P-C4'-P energy: -27.409 tors. eta vs tors. theta energy: -66.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -718.925781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.925781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.925781 (E_RNA) where: Base-Base interactions energy: -432.660 where: short stacking energy: -223.951 Base-Backbone interact. energy: 2.553 local terms energy: -288.819197 where: bonds (distance) C4'-P energy: -58.246 bonds (distance) P-C4' energy: -68.020 flat angles C4'-P-C4' energy: -68.299 flat angles P-C4'-P energy: -44.455 tors. eta vs tors. theta energy: -49.799 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: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -552.944283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.944283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.944283 (E_RNA) where: Base-Base interactions energy: -343.791 where: short stacking energy: -168.166 Base-Backbone interact. energy: -0.422 local terms energy: -208.730983 where: bonds (distance) C4'-P energy: -49.688 bonds (distance) P-C4' energy: -66.884 flat angles C4'-P-C4' energy: -39.924 flat angles P-C4'-P energy: -33.080 tors. eta vs tors. theta energy: -19.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -534.223782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.223782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.223782 (E_RNA) where: Base-Base interactions energy: -297.997 where: short stacking energy: -162.851 Base-Backbone interact. energy: -1.572 local terms energy: -234.655397 where: bonds (distance) C4'-P energy: -57.543 bonds (distance) P-C4' energy: -58.735 flat angles C4'-P-C4' energy: -54.106 flat angles P-C4'-P energy: -36.955 tors. eta vs tors. theta energy: -27.315 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: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -334.614024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.614024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.614024 (E_RNA) where: Base-Base interactions energy: -143.256 where: short stacking energy: -119.434 Base-Backbone interact. energy: -0.239 local terms energy: -191.118591 where: bonds (distance) C4'-P energy: -46.877 bonds (distance) P-C4' energy: -48.050 flat angles C4'-P-C4' energy: -55.859 flat angles P-C4'-P energy: -23.814 tors. eta vs tors. theta energy: -16.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -283.460695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.460695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.460695 (E_RNA) where: Base-Base interactions energy: -101.028 where: short stacking energy: -95.220 Base-Backbone interact. energy: 2.948 local terms energy: -185.379940 where: bonds (distance) C4'-P energy: -51.430 bonds (distance) P-C4' energy: -58.688 flat angles C4'-P-C4' energy: -52.437 flat angles P-C4'-P energy: -27.785 tors. eta vs tors. theta energy: 4.960 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: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1079.936654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.936654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.936654 (E_RNA) where: Base-Base interactions energy: -727.010 where: short stacking energy: -329.274 Base-Backbone interact. energy: 1.225 local terms energy: -354.151505 where: bonds (distance) C4'-P energy: -65.413 bonds (distance) P-C4' energy: -70.583 flat angles C4'-P-C4' energy: -72.532 flat angles P-C4'-P energy: -53.344 tors. eta vs tors. theta energy: -92.280 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: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1016.309102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.309102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.309102 (E_RNA) where: Base-Base interactions energy: -676.794 where: short stacking energy: -323.605 Base-Backbone interact. energy: -0.129 local terms energy: -339.385650 where: bonds (distance) C4'-P energy: -62.969 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -71.193 flat angles P-C4'-P energy: -55.742 tors. eta vs tors. theta energy: -88.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -948.570474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.570474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.570474 (E_RNA) where: Base-Base interactions energy: -610.384 where: short stacking energy: -302.220 Base-Backbone interact. energy: -0.002 local terms energy: -338.184406 where: bonds (distance) C4'-P energy: -61.963 bonds (distance) P-C4' energy: -72.779 flat angles C4'-P-C4' energy: -75.791 flat angles P-C4'-P energy: -46.578 tors. eta vs tors. theta energy: -81.073 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: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -825.071150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.071150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.071150 (E_RNA) where: Base-Base interactions energy: -539.165 where: short stacking energy: -257.803 Base-Backbone interact. energy: 4.441 local terms energy: -290.346842 where: bonds (distance) C4'-P energy: -57.811 bonds (distance) P-C4' energy: -58.059 flat angles C4'-P-C4' energy: -62.238 flat angles P-C4'-P energy: -45.591 tors. eta vs tors. theta energy: -66.648 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: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -766.702525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.702525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.702525 (E_RNA) where: Base-Base interactions energy: -483.277 where: short stacking energy: -222.992 Base-Backbone interact. energy: 4.912 local terms energy: -288.338250 where: bonds (distance) C4'-P energy: -64.914 bonds (distance) P-C4' energy: -68.536 flat angles C4'-P-C4' energy: -56.430 flat angles P-C4'-P energy: -49.321 tors. eta vs tors. theta energy: -49.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -774.848299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.848299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.848299 (E_RNA) where: Base-Base interactions energy: -466.353 where: short stacking energy: -257.739 Base-Backbone interact. energy: -0.486 local terms energy: -308.009079 where: bonds (distance) C4'-P energy: -62.208 bonds (distance) P-C4' energy: -61.244 flat angles C4'-P-C4' energy: -70.563 flat angles P-C4'-P energy: -50.279 tors. eta vs tors. theta energy: -63.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -605.928966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.928966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.928966 (E_RNA) where: Base-Base interactions energy: -361.881 where: short stacking energy: -165.375 Base-Backbone interact. energy: -1.757 local terms energy: -242.291083 where: bonds (distance) C4'-P energy: -50.989 bonds (distance) P-C4' energy: -63.472 flat angles C4'-P-C4' energy: -63.049 flat angles P-C4'-P energy: -38.213 tors. eta vs tors. theta energy: -26.569 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: 37 Temperature: 1.250000 Total energy: -557.604810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.604810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.604810 (E_RNA) where: Base-Base interactions energy: -301.378 where: short stacking energy: -164.978 Base-Backbone interact. energy: -0.060 local terms energy: -256.166688 where: bonds (distance) C4'-P energy: -56.719 bonds (distance) P-C4' energy: -62.475 flat angles C4'-P-C4' energy: -58.647 flat angles P-C4'-P energy: -41.330 tors. eta vs tors. theta energy: -36.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -351.848758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.848758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.848758 (E_RNA) where: Base-Base interactions energy: -132.439 where: short stacking energy: -120.193 Base-Backbone interact. energy: -0.072 local terms energy: -219.337221 where: bonds (distance) C4'-P energy: -48.778 bonds (distance) P-C4' energy: -60.308 flat angles C4'-P-C4' energy: -59.941 flat angles P-C4'-P energy: -43.857 tors. eta vs tors. theta energy: -6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -282.762334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.762334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.762334 (E_RNA) where: Base-Base interactions energy: -98.294 where: short stacking energy: -80.440 Base-Backbone interact. energy: 1.041 local terms energy: -185.509619 where: bonds (distance) C4'-P energy: -45.505 bonds (distance) P-C4' energy: -58.225 flat angles C4'-P-C4' energy: -51.792 flat angles P-C4'-P energy: -34.844 tors. eta vs tors. theta energy: 4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1075.048293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.048293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.048293 (E_RNA) where: Base-Base interactions energy: -717.310 where: short stacking energy: -343.608 Base-Backbone interact. energy: -1.016 local terms energy: -356.722531 where: bonds (distance) C4'-P energy: -64.621 bonds (distance) P-C4' energy: -75.578 flat angles C4'-P-C4' energy: -75.049 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: -91.452 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: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1009.208404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.208404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.208404 (E_RNA) where: Base-Base interactions energy: -660.575 where: short stacking energy: -311.196 Base-Backbone interact. energy: -0.500 local terms energy: -348.133599 where: bonds (distance) C4'-P energy: -71.615 bonds (distance) P-C4' energy: -75.107 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -49.466 tors. eta vs tors. theta energy: -82.971 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: 3, replica: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -913.275142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.275142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.275142 (E_RNA) where: Base-Base interactions energy: -577.908 where: short stacking energy: -273.697 Base-Backbone interact. energy: -0.279 local terms energy: -335.087807 where: bonds (distance) C4'-P energy: -65.781 bonds (distance) P-C4' energy: -63.966 flat angles C4'-P-C4' energy: -80.493 flat angles P-C4'-P energy: -49.269 tors. eta vs tors. theta energy: -75.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -810.807546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.807546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.807546 (E_RNA) where: Base-Base interactions energy: -523.537 where: short stacking energy: -235.160 Base-Backbone interact. energy: 0.608 local terms energy: -287.878760 where: bonds (distance) C4'-P energy: -57.612 bonds (distance) P-C4' energy: -78.270 flat angles C4'-P-C4' energy: -66.587 flat angles P-C4'-P energy: -31.050 tors. eta vs tors. theta energy: -54.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -778.035053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.035053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.035053 (E_RNA) where: Base-Base interactions energy: -474.515 where: short stacking energy: -240.740 Base-Backbone interact. energy: -1.760 local terms energy: -301.760448 where: bonds (distance) C4'-P energy: -68.586 bonds (distance) P-C4' energy: -63.496 flat angles C4'-P-C4' energy: -61.234 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -67.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -697.875331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.875331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.875331 (E_RNA) where: Base-Base interactions energy: -469.461 where: short stacking energy: -220.242 Base-Backbone interact. energy: -0.880 local terms energy: -227.534280 where: bonds (distance) C4'-P energy: -49.004 bonds (distance) P-C4' energy: -54.845 flat angles C4'-P-C4' energy: -51.404 flat angles P-C4'-P energy: -28.349 tors. eta vs tors. theta energy: -43.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -566.070668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.070668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.070668 (E_RNA) where: Base-Base interactions energy: -317.167 where: short stacking energy: -173.097 Base-Backbone interact. energy: -2.375 local terms energy: -246.527986 where: bonds (distance) C4'-P energy: -52.623 bonds (distance) P-C4' energy: -60.618 flat angles C4'-P-C4' energy: -64.430 flat angles P-C4'-P energy: -29.848 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: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -545.428151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.428151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.428151 (E_RNA) where: Base-Base interactions energy: -300.458 where: short stacking energy: -155.143 Base-Backbone interact. energy: -0.814 local terms energy: -244.156460 where: bonds (distance) C4'-P energy: -61.077 bonds (distance) P-C4' energy: -60.491 flat angles C4'-P-C4' energy: -52.455 flat angles P-C4'-P energy: -30.503 tors. eta vs tors. theta energy: -39.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -293.390427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.390427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.390427 (E_RNA) where: Base-Base interactions energy: -111.948 where: short stacking energy: -100.610 Base-Backbone interact. energy: 1.171 local terms energy: -182.614176 where: bonds (distance) C4'-P energy: -59.261 bonds (distance) P-C4' energy: -55.098 flat angles C4'-P-C4' energy: -42.967 flat angles P-C4'-P energy: -29.742 tors. eta vs tors. theta energy: 4.453 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: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -298.207480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.207480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.207480 (E_RNA) where: Base-Base interactions energy: -100.745 where: short stacking energy: -88.051 Base-Backbone interact. energy: 0.037 local terms energy: -197.499521 where: bonds (distance) C4'-P energy: -52.550 bonds (distance) P-C4' energy: -60.933 flat angles C4'-P-C4' energy: -59.638 flat angles P-C4'-P energy: -32.321 tors. eta vs tors. theta energy: 7.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1069.817544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.817544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.817544 (E_RNA) where: Base-Base interactions energy: -710.229 where: short stacking energy: -343.901 Base-Backbone interact. energy: -1.326 local terms energy: -358.262781 where: bonds (distance) C4'-P energy: -76.538 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -70.695 flat angles P-C4'-P energy: -52.950 tors. eta vs tors. theta energy: -92.762 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: 39 Temperature: 0.950000 Total energy: -1013.836691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.836691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.836691 (E_RNA) where: Base-Base interactions energy: -676.988 where: short stacking energy: -342.241 Base-Backbone interact. energy: -0.426 local terms energy: -336.422308 where: bonds (distance) C4'-P energy: -56.828 bonds (distance) P-C4' energy: -65.337 flat angles C4'-P-C4' energy: -80.442 flat angles P-C4'-P energy: -40.150 tors. eta vs tors. theta energy: -93.665 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: 1 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -914.567952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.567952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.567952 (E_RNA) where: Base-Base interactions energy: -587.605 where: short stacking energy: -289.815 Base-Backbone interact. energy: -1.887 local terms energy: -325.075496 where: bonds (distance) C4'-P energy: -62.489 bonds (distance) P-C4' energy: -73.016 flat angles C4'-P-C4' energy: -74.636 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: -70.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -825.308886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.308886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.308886 (E_RNA) where: Base-Base interactions energy: -515.589 where: short stacking energy: -261.728 Base-Backbone interact. energy: -1.191 local terms energy: -308.529162 where: bonds (distance) C4'-P energy: -69.617 bonds (distance) P-C4' energy: -58.605 flat angles C4'-P-C4' energy: -74.150 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -65.642 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: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -747.604505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.604505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.604505 (E_RNA) where: Base-Base interactions energy: -469.855 where: short stacking energy: -230.047 Base-Backbone interact. energy: -0.786 local terms energy: -276.962959 where: bonds (distance) C4'-P energy: -59.591 bonds (distance) P-C4' energy: -65.735 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -42.596 tors. eta vs tors. theta energy: -44.449 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: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -683.573254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.573254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.573254 (E_RNA) where: Base-Base interactions energy: -432.351 where: short stacking energy: -197.456 Base-Backbone interact. energy: -1.439 local terms energy: -249.783134 where: bonds (distance) C4'-P energy: -61.880 bonds (distance) P-C4' energy: -58.967 flat angles C4'-P-C4' energy: -65.452 flat angles P-C4'-P energy: -34.079 tors. eta vs tors. theta energy: -29.406 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: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -571.049198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.049198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.049198 (E_RNA) where: Base-Base interactions energy: -343.396 where: short stacking energy: -185.553 Base-Backbone interact. energy: 0.429 local terms energy: -228.082208 where: bonds (distance) C4'-P energy: -47.037 bonds (distance) P-C4' energy: -63.823 flat angles C4'-P-C4' energy: -55.699 flat angles P-C4'-P energy: -39.978 tors. eta vs tors. theta energy: -21.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -560.180262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.180262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.180262 (E_RNA) where: Base-Base interactions energy: -328.608 where: short stacking energy: -168.501 Base-Backbone interact. energy: -0.782 local terms energy: -230.790669 where: bonds (distance) C4'-P energy: -46.098 bonds (distance) P-C4' energy: -57.069 flat angles C4'-P-C4' energy: -63.451 flat angles P-C4'-P energy: -34.717 tors. eta vs tors. theta energy: -29.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -298.308397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.308397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.308397 (E_RNA) where: Base-Base interactions energy: -117.584 where: short stacking energy: -91.104 Base-Backbone interact. energy: 0.107 local terms energy: -180.831581 where: bonds (distance) C4'-P energy: -64.713 bonds (distance) P-C4' energy: -53.046 flat angles C4'-P-C4' energy: -48.841 flat angles P-C4'-P energy: -19.213 tors. eta vs tors. theta energy: 4.982 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: 39 Temperature: 1.350000 Total energy: -287.936244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.936244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.936244 (E_RNA) where: Base-Base interactions energy: -70.411 where: short stacking energy: -65.624 Base-Backbone interact. energy: 0.592 local terms energy: -218.117263 where: bonds (distance) C4'-P energy: -55.916 bonds (distance) P-C4' energy: -67.589 flat angles C4'-P-C4' energy: -60.157 flat angles P-C4'-P energy: -35.601 tors. eta vs tors. theta energy: 1.145 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: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1064.039914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.039914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.039914 (E_RNA) where: Base-Base interactions energy: -717.194 where: short stacking energy: -334.304 Base-Backbone interact. energy: -0.599 local terms energy: -346.247633 where: bonds (distance) C4'-P energy: -69.020 bonds (distance) P-C4' energy: -70.590 flat angles C4'-P-C4' energy: -71.701 flat angles P-C4'-P energy: -44.948 tors. eta vs tors. theta energy: -89.988 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: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -988.631709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.631709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.631709 (E_RNA) where: Base-Base interactions energy: -645.104 where: short stacking energy: -319.201 Base-Backbone interact. energy: 2.427 local terms energy: -345.954146 where: bonds (distance) C4'-P energy: -69.192 bonds (distance) P-C4' energy: -75.292 flat angles C4'-P-C4' energy: -76.614 flat angles P-C4'-P energy: -35.642 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: 3, replica: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -930.706155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.706155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.706155 (E_RNA) where: Base-Base interactions energy: -612.729 where: short stacking energy: -312.735 Base-Backbone interact. energy: -1.490 local terms energy: -316.487950 where: bonds (distance) C4'-P energy: -58.535 bonds (distance) P-C4' energy: -56.726 flat angles C4'-P-C4' energy: -72.440 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: -83.337 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: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -833.079278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.079278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.079278 (E_RNA) where: Base-Base interactions energy: -528.938 where: short stacking energy: -259.987 Base-Backbone interact. energy: -1.249 local terms energy: -302.892187 where: bonds (distance) C4'-P energy: -53.949 bonds (distance) P-C4' energy: -75.647 flat angles C4'-P-C4' energy: -62.620 flat angles P-C4'-P energy: -44.422 tors. eta vs tors. theta energy: -66.254 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: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -780.630957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.630957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.630957 (E_RNA) where: Base-Base interactions energy: -504.398 where: short stacking energy: -249.961 Base-Backbone interact. energy: -1.209 local terms energy: -275.024732 where: bonds (distance) C4'-P energy: -53.747 bonds (distance) P-C4' energy: -65.519 flat angles C4'-P-C4' energy: -60.200 flat angles P-C4'-P energy: -37.185 tors. eta vs tors. theta energy: -58.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -680.361640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.361640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.361640 (E_RNA) where: Base-Base interactions energy: -429.555 where: short stacking energy: -202.314 Base-Backbone interact. energy: -1.184 local terms energy: -249.622441 where: bonds (distance) C4'-P energy: -44.972 bonds (distance) P-C4' energy: -71.253 flat angles C4'-P-C4' energy: -58.970 flat angles P-C4'-P energy: -38.743 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: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -613.752273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.752273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.752273 (E_RNA) where: Base-Base interactions energy: -366.255 where: short stacking energy: -182.015 Base-Backbone interact. energy: -0.625 local terms energy: -246.872358 where: bonds (distance) C4'-P energy: -63.201 bonds (distance) P-C4' energy: -56.139 flat angles C4'-P-C4' energy: -59.928 flat angles P-C4'-P energy: -32.331 tors. eta vs tors. theta energy: -35.273 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: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -476.838363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.838363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.838363 (E_RNA) where: Base-Base interactions energy: -255.488 where: short stacking energy: -136.899 Base-Backbone interact. energy: -3.758 local terms energy: -217.592766 where: bonds (distance) C4'-P energy: -50.324 bonds (distance) P-C4' energy: -66.313 flat angles C4'-P-C4' energy: -60.287 flat angles P-C4'-P energy: -35.625 tors. eta vs tors. theta energy: -5.044 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: 9, replica: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -300.464673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.464673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.464673 (E_RNA) where: Base-Base interactions energy: -111.364 where: short stacking energy: -89.916 Base-Backbone interact. energy: 4.582 local terms energy: -193.682435 where: bonds (distance) C4'-P energy: -49.481 bonds (distance) P-C4' energy: -65.221 flat angles C4'-P-C4' energy: -55.248 flat angles P-C4'-P energy: -38.029 tors. eta vs tors. theta energy: 14.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -285.132088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.132088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.132088 (E_RNA) where: Base-Base interactions energy: -102.686 where: short stacking energy: -84.118 Base-Backbone interact. energy: 5.245 local terms energy: -187.691732 where: bonds (distance) C4'-P energy: -63.374 bonds (distance) P-C4' energy: -58.207 flat angles C4'-P-C4' energy: -48.960 flat angles P-C4'-P energy: -34.210 tors. eta vs tors. theta energy: 17.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1051.201814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.201814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.201814 (E_RNA) where: Base-Base interactions energy: -690.452 where: short stacking energy: -318.917 Base-Backbone interact. energy: -2.467 local terms energy: -358.283159 where: bonds (distance) C4'-P energy: -73.468 bonds (distance) P-C4' energy: -68.054 flat angles C4'-P-C4' energy: -80.046 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -87.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1028.332927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.332927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.332927 (E_RNA) where: Base-Base interactions energy: -665.412 where: short stacking energy: -320.072 Base-Backbone interact. energy: -0.528 local terms energy: -362.392553 where: bonds (distance) C4'-P energy: -70.485 bonds (distance) P-C4' energy: -68.129 flat angles C4'-P-C4' energy: -74.186 flat angles P-C4'-P energy: -63.097 tors. eta vs tors. theta energy: -86.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -900.572865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.572865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.572865 (E_RNA) where: Base-Base interactions energy: -554.797 where: short stacking energy: -306.756 Base-Backbone interact. energy: -2.538 local terms energy: -343.237738 where: bonds (distance) C4'-P energy: -71.089 bonds (distance) P-C4' energy: -66.135 flat angles C4'-P-C4' energy: -80.687 flat angles P-C4'-P energy: -41.609 tors. eta vs tors. theta energy: -83.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -829.323778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.323778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.323778 (E_RNA) where: Base-Base interactions energy: -522.749 where: short stacking energy: -236.615 Base-Backbone interact. energy: 0.477 local terms energy: -307.051552 where: bonds (distance) C4'-P energy: -54.754 bonds (distance) P-C4' energy: -76.470 flat angles C4'-P-C4' energy: -58.768 flat angles P-C4'-P energy: -54.774 tors. eta vs tors. theta energy: -62.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -791.489856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.489856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.489856 (E_RNA) where: Base-Base interactions energy: -489.523 where: short stacking energy: -243.417 Base-Backbone interact. energy: -0.866 local terms energy: -301.101704 where: bonds (distance) C4'-P energy: -53.599 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -66.071 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -68.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -712.370648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.370648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.370648 (E_RNA) where: Base-Base interactions energy: -456.362 where: short stacking energy: -219.018 Base-Backbone interact. energy: -1.636 local terms energy: -254.372457 where: bonds (distance) C4'-P energy: -57.765 bonds (distance) P-C4' energy: -58.303 flat angles C4'-P-C4' energy: -54.390 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -39.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -633.217960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.217960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.217960 (E_RNA) where: Base-Base interactions energy: -368.598 where: short stacking energy: -190.840 Base-Backbone interact. energy: -0.997 local terms energy: -263.623075 where: bonds (distance) C4'-P energy: -59.509 bonds (distance) P-C4' energy: -72.620 flat angles C4'-P-C4' energy: -58.652 flat angles P-C4'-P energy: -35.881 tors. eta vs tors. theta energy: -36.962 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: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -482.096123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.096123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.096123 (E_RNA) where: Base-Base interactions energy: -265.760 where: short stacking energy: -143.889 Base-Backbone interact. energy: -2.112 local terms energy: -214.224553 where: bonds (distance) C4'-P energy: -57.372 bonds (distance) P-C4' energy: -52.244 flat angles C4'-P-C4' energy: -50.202 flat angles P-C4'-P energy: -30.260 tors. eta vs tors. theta energy: -24.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -312.729476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.729476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.729476 (E_RNA) where: Base-Base interactions energy: -108.996 where: short stacking energy: -92.250 Base-Backbone interact. energy: -0.756 local terms energy: -202.977644 where: bonds (distance) C4'-P energy: -53.540 bonds (distance) P-C4' energy: -61.453 flat angles C4'-P-C4' energy: -57.183 flat angles P-C4'-P energy: -30.441 tors. eta vs tors. theta energy: -0.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -283.197196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.197196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.197196 (E_RNA) where: Base-Base interactions energy: -78.855 where: short stacking energy: -69.006 Base-Backbone interact. energy: -0.266 local terms energy: -204.075768 where: bonds (distance) C4'-P energy: -62.983 bonds (distance) P-C4' energy: -70.011 flat angles C4'-P-C4' energy: -55.467 flat angles P-C4'-P energy: -29.172 tors. eta vs tors. theta energy: 13.557 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: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1064.205995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.205995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.205995 (E_RNA) where: Base-Base interactions energy: -703.595 where: short stacking energy: -334.954 Base-Backbone interact. energy: -1.324 local terms energy: -359.286570 where: bonds (distance) C4'-P energy: -68.753 bonds (distance) P-C4' energy: -77.207 flat angles C4'-P-C4' energy: -70.356 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -93.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1037.417264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.417264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.417264 (E_RNA) where: Base-Base interactions energy: -677.779 where: short stacking energy: -335.092 Base-Backbone interact. energy: 0.352 local terms energy: -359.989798 where: bonds (distance) C4'-P energy: -72.237 bonds (distance) P-C4' energy: -69.681 flat angles C4'-P-C4' energy: -71.062 flat angles P-C4'-P energy: -48.111 tors. eta vs tors. theta energy: -98.899 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: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -859.315062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.315062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.315062 (E_RNA) where: Base-Base interactions energy: -538.182 where: short stacking energy: -269.732 Base-Backbone interact. energy: -0.719 local terms energy: -320.414597 where: bonds (distance) C4'-P energy: -68.158 bonds (distance) P-C4' energy: -67.659 flat angles C4'-P-C4' energy: -71.318 flat angles P-C4'-P energy: -49.193 tors. eta vs tors. theta energy: -64.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -885.929005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.929005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.929005 (E_RNA) where: Base-Base interactions energy: -562.040 where: short stacking energy: -278.312 Base-Backbone interact. energy: -0.385 local terms energy: -323.504435 where: bonds (distance) C4'-P energy: -72.971 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -70.479 flat angles P-C4'-P energy: -39.350 tors. eta vs tors. theta energy: -72.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -782.554062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.554062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.554062 (E_RNA) where: Base-Base interactions energy: -488.599 where: short stacking energy: -251.333 Base-Backbone interact. energy: 1.094 local terms energy: -295.049194 where: bonds (distance) C4'-P energy: -55.131 bonds (distance) P-C4' energy: -67.439 flat angles C4'-P-C4' energy: -73.831 flat angles P-C4'-P energy: -45.814 tors. eta vs tors. theta energy: -52.833 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: 2 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -701.100203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.100203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.100203 (E_RNA) where: Base-Base interactions energy: -457.746 where: short stacking energy: -201.846 Base-Backbone interact. energy: -0.066 local terms energy: -243.287233 where: bonds (distance) C4'-P energy: -62.412 bonds (distance) P-C4' energy: -50.362 flat angles C4'-P-C4' energy: -62.576 flat angles P-C4'-P energy: -33.329 tors. eta vs tors. theta energy: -34.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -687.723816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.723816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.723816 (E_RNA) where: Base-Base interactions energy: -413.283 where: short stacking energy: -182.339 Base-Backbone interact. energy: -0.963 local terms energy: -273.478635 where: bonds (distance) C4'-P energy: -63.475 bonds (distance) P-C4' energy: -55.559 flat angles C4'-P-C4' energy: -62.779 flat angles P-C4'-P energy: -43.425 tors. eta vs tors. theta energy: -48.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -439.607147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.607147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.607147 (E_RNA) where: Base-Base interactions energy: -229.812 where: short stacking energy: -132.265 Base-Backbone interact. energy: 4.342 local terms energy: -214.136789 where: bonds (distance) C4'-P energy: -61.119 bonds (distance) P-C4' energy: -57.775 flat angles C4'-P-C4' energy: -49.507 flat angles P-C4'-P energy: -31.900 tors. eta vs tors. theta energy: -13.835 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: 42 Temperature: 1.300000 Total energy: -305.445798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.445798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.445798 (E_RNA) where: Base-Base interactions energy: -121.998 where: short stacking energy: -118.953 Base-Backbone interact. energy: 0.806 local terms energy: -184.253980 where: bonds (distance) C4'-P energy: -49.173 bonds (distance) P-C4' energy: -60.206 flat angles C4'-P-C4' energy: -40.201 flat angles P-C4'-P energy: -25.635 tors. eta vs tors. theta energy: -9.039 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: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -301.104801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.104801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.104801 (E_RNA) where: Base-Base interactions energy: -106.105 where: short stacking energy: -103.712 Base-Backbone interact. energy: -0.615 local terms energy: -194.384891 where: bonds (distance) C4'-P energy: -50.018 bonds (distance) P-C4' energy: -57.422 flat angles C4'-P-C4' energy: -52.587 flat angles P-C4'-P energy: -30.872 tors. eta vs tors. theta energy: -3.487 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: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1080.293542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.293542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.293542 (E_RNA) where: Base-Base interactions energy: -734.990 where: short stacking energy: -341.138 Base-Backbone interact. energy: 0.780 local terms energy: -346.083775 where: bonds (distance) C4'-P energy: -63.503 bonds (distance) P-C4' energy: -70.478 flat angles C4'-P-C4' energy: -68.843 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -98.028 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: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1003.144187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.144187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.144187 (E_RNA) where: Base-Base interactions energy: -647.556 where: short stacking energy: -303.852 Base-Backbone interact. energy: -2.266 local terms energy: -353.322137 where: bonds (distance) C4'-P energy: -71.777 bonds (distance) P-C4' energy: -69.988 flat angles C4'-P-C4' energy: -77.866 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: -89.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -835.138092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.138092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.138092 (E_RNA) where: Base-Base interactions energy: -534.189 where: short stacking energy: -262.903 Base-Backbone interact. energy: -0.031 local terms energy: -300.918362 where: bonds (distance) C4'-P energy: -62.145 bonds (distance) P-C4' energy: -63.947 flat angles C4'-P-C4' energy: -77.793 flat angles P-C4'-P energy: -34.770 tors. eta vs tors. theta energy: -62.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -887.562415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.562415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.562415 (E_RNA) where: Base-Base interactions energy: -577.080 where: short stacking energy: -286.510 Base-Backbone interact. energy: 0.309 local terms energy: -310.791684 where: bonds (distance) C4'-P energy: -59.312 bonds (distance) P-C4' energy: -55.629 flat angles C4'-P-C4' energy: -77.141 flat angles P-C4'-P energy: -48.700 tors. eta vs tors. theta energy: -70.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -753.195086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.195086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.195086 (E_RNA) where: Base-Base interactions energy: -459.638 where: short stacking energy: -239.779 Base-Backbone interact. energy: -2.162 local terms energy: -291.395228 where: bonds (distance) C4'-P energy: -56.287 bonds (distance) P-C4' energy: -59.563 flat angles C4'-P-C4' energy: -75.895 flat angles P-C4'-P energy: -51.449 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: 6, replica: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -738.333132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.333132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.333132 (E_RNA) where: Base-Base interactions energy: -472.960 where: short stacking energy: -231.796 Base-Backbone interact. energy: -0.471 local terms energy: -264.902475 where: bonds (distance) C4'-P energy: -61.196 bonds (distance) P-C4' energy: -61.905 flat angles C4'-P-C4' energy: -57.080 flat angles P-C4'-P energy: -32.954 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: 7, replica: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -657.716322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.716322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.716322 (E_RNA) where: Base-Base interactions energy: -428.850 where: short stacking energy: -178.556 Base-Backbone interact. energy: 0.371 local terms energy: -229.237627 where: bonds (distance) C4'-P energy: -58.556 bonds (distance) P-C4' energy: -59.224 flat angles C4'-P-C4' energy: -57.219 flat angles P-C4'-P energy: -29.411 tors. eta vs tors. theta energy: -24.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -482.550941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.550941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.550941 (E_RNA) where: Base-Base interactions energy: -272.261 where: short stacking energy: -147.730 Base-Backbone interact. energy: 0.777 local terms energy: -211.066814 where: bonds (distance) C4'-P energy: -46.450 bonds (distance) P-C4' energy: -61.078 flat angles C4'-P-C4' energy: -50.981 flat angles P-C4'-P energy: -35.256 tors. eta vs tors. theta energy: -17.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -300.482986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.482986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.482986 (E_RNA) where: Base-Base interactions energy: -114.809 where: short stacking energy: -103.044 Base-Backbone interact. energy: 1.505 local terms energy: -187.179536 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -59.531 flat angles C4'-P-C4' energy: -39.874 flat angles P-C4'-P energy: -29.954 tors. eta vs tors. theta energy: 4.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -284.684679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.684679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.684679 (E_RNA) where: Base-Base interactions energy: -84.036 where: short stacking energy: -83.768 Base-Backbone interact. energy: -0.075 local terms energy: -200.573563 where: bonds (distance) C4'-P energy: -48.708 bonds (distance) P-C4' energy: -70.860 flat angles C4'-P-C4' energy: -41.909 flat angles P-C4'-P energy: -34.703 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1056.497938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.497938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.497938 (E_RNA) where: Base-Base interactions energy: -694.980 where: short stacking energy: -312.672 Base-Backbone interact. energy: -1.730 local terms energy: -359.788290 where: bonds (distance) C4'-P energy: -74.457 bonds (distance) P-C4' energy: -67.596 flat angles C4'-P-C4' energy: -82.552 flat angles P-C4'-P energy: -43.616 tors. eta vs tors. theta energy: -91.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1024.968789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.968789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.968789 (E_RNA) where: Base-Base interactions energy: -666.605 where: short stacking energy: -314.752 Base-Backbone interact. energy: -0.254 local terms energy: -358.109049 where: bonds (distance) C4'-P energy: -68.752 bonds (distance) P-C4' energy: -74.573 flat angles C4'-P-C4' energy: -76.799 flat angles P-C4'-P energy: -47.127 tors. eta vs tors. theta energy: -90.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -906.795911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.795911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.795911 (E_RNA) where: Base-Base interactions energy: -581.022 where: short stacking energy: -288.876 Base-Backbone interact. energy: -0.454 local terms energy: -325.319677 where: bonds (distance) C4'-P energy: -66.423 bonds (distance) P-C4' energy: -69.171 flat angles C4'-P-C4' energy: -67.146 flat angles P-C4'-P energy: -47.026 tors. eta vs tors. theta energy: -75.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -810.193393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.193393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.193393 (E_RNA) where: Base-Base interactions energy: -518.161 where: short stacking energy: -260.218 Base-Backbone interact. energy: -1.679 local terms energy: -290.353924 where: bonds (distance) C4'-P energy: -63.819 bonds (distance) P-C4' energy: -64.750 flat angles C4'-P-C4' energy: -61.386 flat angles P-C4'-P energy: -31.673 tors. eta vs tors. theta energy: -68.727 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: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -777.318493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.318493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.318493 (E_RNA) where: Base-Base interactions energy: -476.948 where: short stacking energy: -243.994 Base-Backbone interact. energy: -0.549 local terms energy: -299.821782 where: bonds (distance) C4'-P energy: -65.245 bonds (distance) P-C4' energy: -68.010 flat angles C4'-P-C4' energy: -65.040 flat angles P-C4'-P energy: -41.411 tors. eta vs tors. theta energy: -60.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -703.948459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.948459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.948459 (E_RNA) where: Base-Base interactions energy: -438.272 where: short stacking energy: -215.905 Base-Backbone interact. energy: -1.102 local terms energy: -264.574943 where: bonds (distance) C4'-P energy: -56.513 bonds (distance) P-C4' energy: -54.838 flat angles C4'-P-C4' energy: -73.458 flat angles P-C4'-P energy: -35.298 tors. eta vs tors. theta energy: -44.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -645.132053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.132053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.132053 (E_RNA) where: Base-Base interactions energy: -396.149 where: short stacking energy: -167.685 Base-Backbone interact. energy: -0.298 local terms energy: -248.684975 where: bonds (distance) C4'-P energy: -62.913 bonds (distance) P-C4' energy: -55.413 flat angles C4'-P-C4' energy: -50.987 flat angles P-C4'-P energy: -48.202 tors. eta vs tors. theta energy: -31.170 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: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -486.573317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.573317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.573317 (E_RNA) where: Base-Base interactions energy: -263.519 where: short stacking energy: -140.009 Base-Backbone interact. energy: -1.441 local terms energy: -221.612756 where: bonds (distance) C4'-P energy: -51.098 bonds (distance) P-C4' energy: -63.583 flat angles C4'-P-C4' energy: -58.076 flat angles P-C4'-P energy: -37.574 tors. eta vs tors. theta energy: -11.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -308.462087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.462087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.462087 (E_RNA) where: Base-Base interactions energy: -87.659 where: short stacking energy: -68.538 Base-Backbone interact. energy: 3.431 local terms energy: -224.233340 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -65.372 flat angles C4'-P-C4' energy: -63.217 flat angles P-C4'-P energy: -47.878 tors. eta vs tors. theta energy: 9.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -272.282426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.282426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.282426 (E_RNA) where: Base-Base interactions energy: -90.774 where: short stacking energy: -82.505 Base-Backbone interact. energy: -0.080 local terms energy: -181.428706 where: bonds (distance) C4'-P energy: -52.826 bonds (distance) P-C4' energy: -42.899 flat angles C4'-P-C4' energy: -49.842 flat angles P-C4'-P energy: -41.712 tors. eta vs tors. theta energy: 5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1024.754924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.754924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.754924 (E_RNA) where: Base-Base interactions energy: -701.288 where: short stacking energy: -332.939 Base-Backbone interact. energy: -0.944 local terms energy: -322.522918 where: bonds (distance) C4'-P energy: -57.411 bonds (distance) P-C4' energy: -61.271 flat angles C4'-P-C4' energy: -72.536 flat angles P-C4'-P energy: -48.109 tors. eta vs tors. theta energy: -83.195 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: 45 Temperature: 0.950000 Total energy: -1023.793516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.793516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.793516 (E_RNA) where: Base-Base interactions energy: -667.339 where: short stacking energy: -325.696 Base-Backbone interact. energy: 1.401 local terms energy: -357.855440 where: bonds (distance) C4'-P energy: -78.302 bonds (distance) P-C4' energy: -63.545 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -91.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -928.785444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.785444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.785444 (E_RNA) where: Base-Base interactions energy: -603.678 where: short stacking energy: -305.919 Base-Backbone interact. energy: -0.827 local terms energy: -324.279817 where: bonds (distance) C4'-P energy: -61.407 bonds (distance) P-C4' energy: -59.472 flat angles C4'-P-C4' energy: -74.279 flat angles P-C4'-P energy: -42.114 tors. eta vs tors. theta energy: -87.007 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: 9 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -823.952937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.952937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.952937 (E_RNA) where: Base-Base interactions energy: -507.341 where: short stacking energy: -272.335 Base-Backbone interact. energy: -0.188 local terms energy: -316.424604 where: bonds (distance) C4'-P energy: -75.382 bonds (distance) P-C4' energy: -59.694 flat angles C4'-P-C4' energy: -69.747 flat angles P-C4'-P energy: -46.614 tors. eta vs tors. theta energy: -64.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -791.821862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.821862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.821862 (E_RNA) where: Base-Base interactions energy: -500.217 where: short stacking energy: -253.434 Base-Backbone interact. energy: -0.417 local terms energy: -291.188223 where: bonds (distance) C4'-P energy: -68.128 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -42.227 tors. eta vs tors. theta energy: -61.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -734.360692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.360692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.360692 (E_RNA) where: Base-Base interactions energy: -475.004 where: short stacking energy: -226.224 Base-Backbone interact. energy: 3.140 local terms energy: -262.496613 where: bonds (distance) C4'-P energy: -62.579 bonds (distance) P-C4' energy: -65.645 flat angles C4'-P-C4' energy: -57.876 flat angles P-C4'-P energy: -27.007 tors. eta vs tors. theta energy: -49.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -661.697931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.697931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.697931 (E_RNA) where: Base-Base interactions energy: -419.924 where: short stacking energy: -200.478 Base-Backbone interact. energy: -1.846 local terms energy: -239.928582 where: bonds (distance) C4'-P energy: -48.642 bonds (distance) P-C4' energy: -69.803 flat angles C4'-P-C4' energy: -63.703 flat angles P-C4'-P energy: -25.341 tors. eta vs tors. theta energy: -32.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -480.378887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.378887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.378887 (E_RNA) where: Base-Base interactions energy: -242.399 where: short stacking energy: -139.436 Base-Backbone interact. energy: -0.847 local terms energy: -237.132970 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -72.540 flat angles C4'-P-C4' energy: -50.335 flat angles P-C4'-P energy: -28.462 tors. eta vs tors. theta energy: -22.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -307.471917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.471917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.471917 (E_RNA) where: Base-Base interactions energy: -111.636 where: short stacking energy: -94.206 Base-Backbone interact. energy: 0.080 local terms energy: -195.915431 where: bonds (distance) C4'-P energy: -62.245 bonds (distance) P-C4' energy: -61.295 flat angles C4'-P-C4' energy: -49.914 flat angles P-C4'-P energy: -29.417 tors. eta vs tors. theta energy: 6.955 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: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -278.273250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.273250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.273250 (E_RNA) where: Base-Base interactions energy: -111.110 where: short stacking energy: -105.311 Base-Backbone interact. energy: -0.579 local terms energy: -166.584404 where: bonds (distance) C4'-P energy: -58.523 bonds (distance) P-C4' energy: -40.341 flat angles C4'-P-C4' energy: -41.892 flat angles P-C4'-P energy: -23.736 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1061.657005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.657005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.657005 (E_RNA) where: Base-Base interactions energy: -699.014 where: short stacking energy: -325.965 Base-Backbone interact. energy: -1.510 local terms energy: -361.133524 where: bonds (distance) C4'-P energy: -67.936 bonds (distance) P-C4' energy: -73.960 flat angles C4'-P-C4' energy: -80.450 flat angles P-C4'-P energy: -50.234 tors. eta vs tors. theta energy: -88.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1030.956533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.956533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.956533 (E_RNA) where: Base-Base interactions energy: -692.521 where: short stacking energy: -338.646 Base-Backbone interact. energy: -1.397 local terms energy: -337.038748 where: bonds (distance) C4'-P energy: -63.123 bonds (distance) P-C4' energy: -69.527 flat angles C4'-P-C4' energy: -61.736 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: -99.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -930.467688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.467688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.467688 (E_RNA) where: Base-Base interactions energy: -609.263 where: short stacking energy: -325.519 Base-Backbone interact. energy: 5.764 local terms energy: -326.968139 where: bonds (distance) C4'-P energy: -58.766 bonds (distance) P-C4' energy: -68.094 flat angles C4'-P-C4' energy: -67.572 flat angles P-C4'-P energy: -43.395 tors. eta vs tors. theta energy: -89.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -817.820701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.820701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.820701 (E_RNA) where: Base-Base interactions energy: -514.151 where: short stacking energy: -253.104 Base-Backbone interact. energy: -1.283 local terms energy: -302.387140 where: bonds (distance) C4'-P energy: -61.483 bonds (distance) P-C4' energy: -72.169 flat angles C4'-P-C4' energy: -77.675 flat angles P-C4'-P energy: -35.073 tors. eta vs tors. theta energy: -55.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -800.937834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.937834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.937834 (E_RNA) where: Base-Base interactions energy: -493.410 where: short stacking energy: -255.853 Base-Backbone interact. energy: 2.475 local terms energy: -310.002890 where: bonds (distance) C4'-P energy: -68.376 bonds (distance) P-C4' energy: -71.796 flat angles C4'-P-C4' energy: -67.417 flat angles P-C4'-P energy: -44.296 tors. eta vs tors. theta energy: -58.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -678.028509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.028509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.028509 (E_RNA) where: Base-Base interactions energy: -404.974 where: short stacking energy: -215.648 Base-Backbone interact. energy: 0.850 local terms energy: -273.904222 where: bonds (distance) C4'-P energy: -58.615 bonds (distance) P-C4' energy: -60.463 flat angles C4'-P-C4' energy: -60.271 flat angles P-C4'-P energy: -47.035 tors. eta vs tors. theta energy: -47.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -677.787817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.787817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.787817 (E_RNA) where: Base-Base interactions energy: -440.143 where: short stacking energy: -193.880 Base-Backbone interact. energy: 0.389 local terms energy: -238.034273 where: bonds (distance) C4'-P energy: -44.276 bonds (distance) P-C4' energy: -74.036 flat angles C4'-P-C4' energy: -53.832 flat angles P-C4'-P energy: -30.174 tors. eta vs tors. theta energy: -35.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -497.746542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.746542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.746542 (E_RNA) where: Base-Base interactions energy: -273.273 where: short stacking energy: -145.660 Base-Backbone interact. energy: -0.965 local terms energy: -223.508622 where: bonds (distance) C4'-P energy: -44.079 bonds (distance) P-C4' energy: -66.480 flat angles C4'-P-C4' energy: -57.430 flat angles P-C4'-P energy: -34.382 tors. eta vs tors. theta energy: -21.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -313.080504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.080504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.080504 (E_RNA) where: Base-Base interactions energy: -113.924 where: short stacking energy: -110.452 Base-Backbone interact. energy: -0.417 local terms energy: -198.739524 where: bonds (distance) C4'-P energy: -59.270 bonds (distance) P-C4' energy: -62.558 flat angles C4'-P-C4' energy: -48.318 flat angles P-C4'-P energy: -25.975 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -310.008172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.008172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.008172 (E_RNA) where: Base-Base interactions energy: -112.037 where: short stacking energy: -102.032 Base-Backbone interact. energy: 1.326 local terms energy: -199.297510 where: bonds (distance) C4'-P energy: -64.785 bonds (distance) P-C4' energy: -51.410 flat angles C4'-P-C4' energy: -46.151 flat angles P-C4'-P energy: -35.662 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1072.097544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.097544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.097544 (E_RNA) where: Base-Base interactions energy: -708.403 where: short stacking energy: -335.880 Base-Backbone interact. energy: -1.054 local terms energy: -362.639895 where: bonds (distance) C4'-P energy: -73.729 bonds (distance) P-C4' energy: -68.440 flat angles C4'-P-C4' energy: -77.659 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -89.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1005.729125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.729125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.729125 (E_RNA) where: Base-Base interactions energy: -667.248 where: short stacking energy: -328.376 Base-Backbone interact. energy: -0.434 local terms energy: -338.046669 where: bonds (distance) C4'-P energy: -58.245 bonds (distance) P-C4' energy: -72.910 flat angles C4'-P-C4' energy: -77.483 flat angles P-C4'-P energy: -44.846 tors. eta vs tors. theta energy: -84.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -932.519103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.519103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.519103 (E_RNA) where: Base-Base interactions energy: -618.205 where: short stacking energy: -266.714 Base-Backbone interact. energy: 0.887 local terms energy: -315.201793 where: bonds (distance) C4'-P energy: -53.634 bonds (distance) P-C4' energy: -65.587 flat angles C4'-P-C4' energy: -72.119 flat angles P-C4'-P energy: -50.853 tors. eta vs tors. theta energy: -73.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -796.872034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.872034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.872034 (E_RNA) where: Base-Base interactions energy: -498.483 where: short stacking energy: -247.223 Base-Backbone interact. energy: -0.958 local terms energy: -297.431189 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -70.877 flat angles C4'-P-C4' energy: -68.407 flat angles P-C4'-P energy: -44.163 tors. eta vs tors. theta energy: -52.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -818.930078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.930078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.930078 (E_RNA) where: Base-Base interactions energy: -525.510 where: short stacking energy: -241.541 Base-Backbone interact. energy: -1.052 local terms energy: -292.368234 where: bonds (distance) C4'-P energy: -52.227 bonds (distance) P-C4' energy: -69.052 flat angles C4'-P-C4' energy: -65.837 flat angles P-C4'-P energy: -49.129 tors. eta vs tors. theta energy: -56.124 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: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -692.970742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.970742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.970742 (E_RNA) where: Base-Base interactions energy: -432.204 where: short stacking energy: -203.606 Base-Backbone interact. energy: 2.487 local terms energy: -263.253611 where: bonds (distance) C4'-P energy: -69.604 bonds (distance) P-C4' energy: -62.549 flat angles C4'-P-C4' energy: -60.730 flat angles P-C4'-P energy: -38.245 tors. eta vs tors. theta energy: -32.125 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: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -654.532263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.532263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.532263 (E_RNA) where: Base-Base interactions energy: -401.264 where: short stacking energy: -199.547 Base-Backbone interact. energy: -1.576 local terms energy: -251.692001 where: bonds (distance) C4'-P energy: -71.827 bonds (distance) P-C4' energy: -50.068 flat angles C4'-P-C4' energy: -52.930 flat angles P-C4'-P energy: -39.844 tors. eta vs tors. theta energy: -37.023 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: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -535.719428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.719428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.719428 (E_RNA) where: Base-Base interactions energy: -294.177 where: short stacking energy: -142.032 Base-Backbone interact. energy: 0.174 local terms energy: -241.716479 where: bonds (distance) C4'-P energy: -48.416 bonds (distance) P-C4' energy: -57.895 flat angles C4'-P-C4' energy: -58.728 flat angles P-C4'-P energy: -42.470 tors. eta vs tors. theta energy: -34.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -302.286410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.286410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.286410 (E_RNA) where: Base-Base interactions energy: -115.300 where: short stacking energy: -90.323 Base-Backbone interact. energy: 1.289 local terms energy: -188.275408 where: bonds (distance) C4'-P energy: -65.806 bonds (distance) P-C4' energy: -50.017 flat angles C4'-P-C4' energy: -45.030 flat angles P-C4'-P energy: -39.386 tors. eta vs tors. theta energy: 11.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -348.261170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.261170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.261170 (E_RNA) where: Base-Base interactions energy: -145.140 where: short stacking energy: -89.179 Base-Backbone interact. energy: 7.432 local terms energy: -210.552713 where: bonds (distance) C4'-P energy: -56.205 bonds (distance) P-C4' energy: -60.924 flat angles C4'-P-C4' energy: -55.703 flat angles P-C4'-P energy: -36.359 tors. eta vs tors. theta energy: -1.362 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: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1066.447156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.447156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.447156 (E_RNA) where: Base-Base interactions energy: -696.140 where: short stacking energy: -330.610 Base-Backbone interact. energy: -2.942 local terms energy: -367.365666 where: bonds (distance) C4'-P energy: -74.411 bonds (distance) P-C4' energy: -71.006 flat angles C4'-P-C4' energy: -76.401 flat angles P-C4'-P energy: -56.821 tors. eta vs tors. theta energy: -88.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1028.155242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.155242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.155242 (E_RNA) where: Base-Base interactions energy: -684.496 where: short stacking energy: -320.181 Base-Backbone interact. energy: -0.303 local terms energy: -343.356411 where: bonds (distance) C4'-P energy: -61.616 bonds (distance) P-C4' energy: -61.688 flat angles C4'-P-C4' energy: -75.578 flat angles P-C4'-P energy: -50.765 tors. eta vs tors. theta energy: -93.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -911.267787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.267787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.267787 (E_RNA) where: Base-Base interactions energy: -581.034 where: short stacking energy: -284.751 Base-Backbone interact. energy: -1.612 local terms energy: -328.621014 where: bonds (distance) C4'-P energy: -62.415 bonds (distance) P-C4' energy: -74.680 flat angles C4'-P-C4' energy: -70.426 flat angles P-C4'-P energy: -44.258 tors. eta vs tors. theta energy: -76.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -814.280936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.280936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.280936 (E_RNA) where: Base-Base interactions energy: -506.951 where: short stacking energy: -253.264 Base-Backbone interact. energy: -1.533 local terms energy: -305.797513 where: bonds (distance) C4'-P energy: -65.321 bonds (distance) P-C4' energy: -64.607 flat angles C4'-P-C4' energy: -71.044 flat angles P-C4'-P energy: -48.317 tors. eta vs tors. theta energy: -56.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -860.140040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.140040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.140040 (E_RNA) where: Base-Base interactions energy: -566.786 where: short stacking energy: -264.787 Base-Backbone interact. energy: -1.056 local terms energy: -292.298551 where: bonds (distance) C4'-P energy: -60.968 bonds (distance) P-C4' energy: -69.587 flat angles C4'-P-C4' energy: -68.180 flat angles P-C4'-P energy: -28.742 tors. eta vs tors. theta energy: -64.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -688.143296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.143296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.143296 (E_RNA) where: Base-Base interactions energy: -400.182 where: short stacking energy: -194.561 Base-Backbone interact. energy: -1.853 local terms energy: -286.108720 where: bonds (distance) C4'-P energy: -68.345 bonds (distance) P-C4' energy: -70.871 flat angles C4'-P-C4' energy: -66.991 flat angles P-C4'-P energy: -39.301 tors. eta vs tors. theta energy: -40.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -662.958278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.958278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.958278 (E_RNA) where: Base-Base interactions energy: -408.845 where: short stacking energy: -210.148 Base-Backbone interact. energy: -0.031 local terms energy: -254.082505 where: bonds (distance) C4'-P energy: -67.363 bonds (distance) P-C4' energy: -58.221 flat angles C4'-P-C4' energy: -48.250 flat angles P-C4'-P energy: -38.558 tors. eta vs tors. theta energy: -41.692 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: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -486.588768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.588768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.588768 (E_RNA) where: Base-Base interactions energy: -271.521 where: short stacking energy: -148.104 Base-Backbone interact. energy: -1.395 local terms energy: -213.673599 where: bonds (distance) C4'-P energy: -58.696 bonds (distance) P-C4' energy: -60.348 flat angles C4'-P-C4' energy: -46.672 flat angles P-C4'-P energy: -28.984 tors. eta vs tors. theta energy: -18.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -386.571029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.571029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.571029 (E_RNA) where: Base-Base interactions energy: -173.708 where: short stacking energy: -111.254 Base-Backbone interact. energy: -0.692 local terms energy: -212.170876 where: bonds (distance) C4'-P energy: -56.026 bonds (distance) P-C4' energy: -64.629 flat angles C4'-P-C4' energy: -62.519 flat angles P-C4'-P energy: -34.249 tors. eta vs tors. theta energy: 5.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -326.283263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.283263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.283263 (E_RNA) where: Base-Base interactions energy: -132.630 where: short stacking energy: -95.911 Base-Backbone interact. energy: -0.812 local terms energy: -192.841070 where: bonds (distance) C4'-P energy: -60.660 bonds (distance) P-C4' energy: -62.529 flat angles C4'-P-C4' energy: -45.579 flat angles P-C4'-P energy: -25.929 tors. eta vs tors. theta energy: 1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1044.251841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.251841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.251841 (E_RNA) where: Base-Base interactions energy: -687.494 where: short stacking energy: -327.054 Base-Backbone interact. energy: 2.201 local terms energy: -358.958715 where: bonds (distance) C4'-P energy: -72.539 bonds (distance) P-C4' energy: -73.983 flat angles C4'-P-C4' energy: -73.251 flat angles P-C4'-P energy: -56.809 tors. eta vs tors. theta energy: -82.377 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: 2, replica: 4 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1035.629335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.629335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.629335 (E_RNA) where: Base-Base interactions energy: -699.096 where: short stacking energy: -336.747 Base-Backbone interact. energy: 0.150 local terms energy: -336.683190 where: bonds (distance) C4'-P energy: -67.249 bonds (distance) P-C4' energy: -57.737 flat angles C4'-P-C4' energy: -75.976 flat angles P-C4'-P energy: -41.537 tors. eta vs tors. theta energy: -94.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -933.753029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.753029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.753029 (E_RNA) where: Base-Base interactions energy: -610.689 where: short stacking energy: -279.018 Base-Backbone interact. energy: -0.802 local terms energy: -322.262052 where: bonds (distance) C4'-P energy: -64.767 bonds (distance) P-C4' energy: -70.278 flat angles C4'-P-C4' energy: -81.302 flat angles P-C4'-P energy: -32.629 tors. eta vs tors. theta energy: -73.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -834.278347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.278347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.278347 (E_RNA) where: Base-Base interactions energy: -517.872 where: short stacking energy: -272.337 Base-Backbone interact. energy: 0.087 local terms energy: -316.493947 where: bonds (distance) C4'-P energy: -66.334 bonds (distance) P-C4' energy: -68.637 flat angles C4'-P-C4' energy: -67.954 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -71.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -795.441314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.441314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.441314 (E_RNA) where: Base-Base interactions energy: -497.630 where: short stacking energy: -253.489 Base-Backbone interact. energy: -0.866 local terms energy: -296.945489 where: bonds (distance) C4'-P energy: -66.438 bonds (distance) P-C4' energy: -66.250 flat angles C4'-P-C4' energy: -64.990 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: -58.651 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: 6, replica: 7 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -752.924931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.924931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.924931 (E_RNA) where: Base-Base interactions energy: -474.577 where: short stacking energy: -237.892 Base-Backbone interact. energy: -0.608 local terms energy: -277.740061 where: bonds (distance) C4'-P energy: -55.759 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -60.404 flat angles P-C4'-P energy: -43.984 tors. eta vs tors. theta energy: -52.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -659.714917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.714917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.714917 (E_RNA) where: Base-Base interactions energy: -398.068 where: short stacking energy: -195.000 Base-Backbone interact. energy: 4.692 local terms energy: -266.339050 where: bonds (distance) C4'-P energy: -64.591 bonds (distance) P-C4' energy: -74.165 flat angles C4'-P-C4' energy: -61.953 flat angles P-C4'-P energy: -28.718 tors. eta vs tors. theta energy: -36.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -446.428734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.428734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.428734 (E_RNA) where: Base-Base interactions energy: -226.889 where: short stacking energy: -121.651 Base-Backbone interact. energy: -0.360 local terms energy: -219.179579 where: bonds (distance) C4'-P energy: -72.275 bonds (distance) P-C4' energy: -61.504 flat angles C4'-P-C4' energy: -58.076 flat angles P-C4'-P energy: -27.719 tors. eta vs tors. theta energy: 0.394 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: 49 Temperature: 1.300000 Total energy: -379.875242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.875242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.875242 (E_RNA) where: Base-Base interactions energy: -178.879 where: short stacking energy: -113.142 Base-Backbone interact. energy: -0.105 local terms energy: -200.890944 where: bonds (distance) C4'-P energy: -57.735 bonds (distance) P-C4' energy: -51.835 flat angles C4'-P-C4' energy: -57.670 flat angles P-C4'-P energy: -37.320 tors. eta vs tors. theta energy: 3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -288.785207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.785207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.785207 (E_RNA) where: Base-Base interactions energy: -91.822 where: short stacking energy: -81.213 Base-Backbone interact. energy: 0.507 local terms energy: -197.469857 where: bonds (distance) C4'-P energy: -52.903 bonds (distance) P-C4' energy: -56.302 flat angles C4'-P-C4' energy: -50.548 flat angles P-C4'-P energy: -41.331 tors. eta vs tors. theta energy: 3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1051.083672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.083672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.083672 (E_RNA) where: Base-Base interactions energy: -708.703 where: short stacking energy: -338.927 Base-Backbone interact. energy: -1.081 local terms energy: -341.299492 where: bonds (distance) C4'-P energy: -63.290 bonds (distance) P-C4' energy: -66.907 flat angles C4'-P-C4' energy: -81.571 flat angles P-C4'-P energy: -42.423 tors. eta vs tors. theta energy: -87.109 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: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1031.798277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.798277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.798277 (E_RNA) where: Base-Base interactions energy: -688.934 where: short stacking energy: -312.371 Base-Backbone interact. energy: 0.014 local terms energy: -342.878281 where: bonds (distance) C4'-P energy: -66.756 bonds (distance) P-C4' energy: -64.928 flat angles C4'-P-C4' energy: -68.309 flat angles P-C4'-P energy: -48.016 tors. eta vs tors. theta energy: -94.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -953.223011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.223011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.223011 (E_RNA) where: Base-Base interactions energy: -610.025 where: short stacking energy: -298.351 Base-Backbone interact. energy: -1.186 local terms energy: -342.012204 where: bonds (distance) C4'-P energy: -59.878 bonds (distance) P-C4' energy: -73.440 flat angles C4'-P-C4' energy: -71.529 flat angles P-C4'-P energy: -53.761 tors. eta vs tors. theta energy: -83.404 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: 9 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -846.526887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.526887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.526887 (E_RNA) where: Base-Base interactions energy: -550.808 where: short stacking energy: -262.969 Base-Backbone interact. energy: -1.210 local terms energy: -294.508728 where: bonds (distance) C4'-P energy: -62.966 bonds (distance) P-C4' energy: -60.067 flat angles C4'-P-C4' energy: -69.905 flat angles P-C4'-P energy: -44.349 tors. eta vs tors. theta energy: -57.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -798.956592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.956592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.956592 (E_RNA) where: Base-Base interactions energy: -511.865 where: short stacking energy: -268.900 Base-Backbone interact. energy: 0.829 local terms energy: -287.921078 where: bonds (distance) C4'-P energy: -52.835 bonds (distance) P-C4' energy: -63.068 flat angles C4'-P-C4' energy: -73.190 flat angles P-C4'-P energy: -39.067 tors. eta vs tors. theta energy: -59.761 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: 7 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -738.695985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.695985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.695985 (E_RNA) where: Base-Base interactions energy: -467.493 where: short stacking energy: -220.259 Base-Backbone interact. energy: 0.186 local terms energy: -271.389010 where: bonds (distance) C4'-P energy: -64.044 bonds (distance) P-C4' energy: -45.895 flat angles C4'-P-C4' energy: -62.724 flat angles P-C4'-P energy: -43.086 tors. eta vs tors. theta energy: -55.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -680.537461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.537461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.537461 (E_RNA) where: Base-Base interactions energy: -414.901 where: short stacking energy: -188.586 Base-Backbone interact. energy: -0.391 local terms energy: -265.245415 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -63.221 flat angles P-C4'-P energy: -35.282 tors. eta vs tors. theta energy: -37.534 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: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -534.981555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.981555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.981555 (E_RNA) where: Base-Base interactions energy: -307.034 where: short stacking energy: -144.926 Base-Backbone interact. energy: 2.021 local terms energy: -229.968931 where: bonds (distance) C4'-P energy: -61.882 bonds (distance) P-C4' energy: -58.179 flat angles C4'-P-C4' energy: -66.009 flat angles P-C4'-P energy: -25.356 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: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -392.516390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.516390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.516390 (E_RNA) where: Base-Base interactions energy: -185.264 where: short stacking energy: -122.878 Base-Backbone interact. energy: -1.742 local terms energy: -205.510230 where: bonds (distance) C4'-P energy: -60.742 bonds (distance) P-C4' energy: -58.499 flat angles C4'-P-C4' energy: -49.414 flat angles P-C4'-P energy: -29.635 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -296.280219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.280219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.280219 (E_RNA) where: Base-Base interactions energy: -108.762 where: short stacking energy: -93.654 Base-Backbone interact. energy: 1.520 local terms energy: -189.038059 where: bonds (distance) C4'-P energy: -54.608 bonds (distance) P-C4' energy: -59.832 flat angles C4'-P-C4' energy: -49.944 flat angles P-C4'-P energy: -29.231 tors. eta vs tors. theta energy: 4.578 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: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1067.337810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.337810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.337810 (E_RNA) where: Base-Base interactions energy: -705.257 where: short stacking energy: -339.720 Base-Backbone interact. energy: -2.146 local terms energy: -359.935279 where: bonds (distance) C4'-P energy: -66.252 bonds (distance) P-C4' energy: -65.802 flat angles C4'-P-C4' energy: -80.122 flat angles P-C4'-P energy: -51.702 tors. eta vs tors. theta energy: -96.058 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: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1049.660143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.660143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.660143 (E_RNA) where: Base-Base interactions energy: -701.605 where: short stacking energy: -338.954 Base-Backbone interact. energy: -0.689 local terms energy: -347.366811 where: bonds (distance) C4'-P energy: -68.589 bonds (distance) P-C4' energy: -72.778 flat angles C4'-P-C4' energy: -72.851 flat angles P-C4'-P energy: -41.372 tors. eta vs tors. theta energy: -91.777 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: 3, replica: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -957.557566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.557566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.557566 (E_RNA) where: Base-Base interactions energy: -643.665 where: short stacking energy: -301.603 Base-Backbone interact. energy: -1.021 local terms energy: -312.871613 where: bonds (distance) C4'-P energy: -55.862 bonds (distance) P-C4' energy: -63.012 flat angles C4'-P-C4' energy: -75.875 flat angles P-C4'-P energy: -41.790 tors. eta vs tors. theta energy: -76.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -861.106115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.106115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.106115 (E_RNA) where: Base-Base interactions energy: -550.846 where: short stacking energy: -266.165 Base-Backbone interact. energy: 2.073 local terms energy: -312.333167 where: bonds (distance) C4'-P energy: -52.569 bonds (distance) P-C4' energy: -64.746 flat angles C4'-P-C4' energy: -65.514 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -80.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -795.438925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.438925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.438925 (E_RNA) where: Base-Base interactions energy: -506.577 where: short stacking energy: -249.303 Base-Backbone interact. energy: 1.647 local terms energy: -290.508464 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -58.042 flat angles C4'-P-C4' energy: -70.176 flat angles P-C4'-P energy: -44.449 tors. eta vs tors. theta energy: -62.502 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: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -739.828985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.828985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.828985 (E_RNA) where: Base-Base interactions energy: -452.888 where: short stacking energy: -212.214 Base-Backbone interact. energy: -0.231 local terms energy: -286.709918 where: bonds (distance) C4'-P energy: -54.016 bonds (distance) P-C4' energy: -67.687 flat angles C4'-P-C4' energy: -60.638 flat angles P-C4'-P energy: -50.931 tors. eta vs tors. theta energy: -53.439 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: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -678.432063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.432063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.432063 (E_RNA) where: Base-Base interactions energy: -411.827 where: short stacking energy: -200.639 Base-Backbone interact. energy: -1.381 local terms energy: -265.223743 where: bonds (distance) C4'-P energy: -50.829 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -64.114 flat angles P-C4'-P energy: -40.325 tors. eta vs tors. theta energy: -49.743 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: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -555.123248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.123248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.123248 (E_RNA) where: Base-Base interactions energy: -332.956 where: short stacking energy: -163.680 Base-Backbone interact. energy: -1.359 local terms energy: -220.807617 where: bonds (distance) C4'-P energy: -58.904 bonds (distance) P-C4' energy: -53.453 flat angles C4'-P-C4' energy: -59.115 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: -13.941 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: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -388.093225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.093225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.093225 (E_RNA) where: Base-Base interactions energy: -192.303 where: short stacking energy: -113.678 Base-Backbone interact. energy: -1.686 local terms energy: -194.104159 where: bonds (distance) C4'-P energy: -57.575 bonds (distance) P-C4' energy: -66.272 flat angles C4'-P-C4' energy: -32.281 flat angles P-C4'-P energy: -35.797 tors. eta vs tors. theta energy: -2.179 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: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -283.412244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.412244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.412244 (E_RNA) where: Base-Base interactions energy: -118.721 where: short stacking energy: -88.975 Base-Backbone interact. energy: 1.162 local terms energy: -165.853041 where: bonds (distance) C4'-P energy: -51.002 bonds (distance) P-C4' energy: -60.378 flat angles C4'-P-C4' energy: -39.454 flat angles P-C4'-P energy: -27.163 tors. eta vs tors. theta energy: 12.144 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: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1057.765718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.765718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.765718 (E_RNA) where: Base-Base interactions energy: -706.568 where: short stacking energy: -320.399 Base-Backbone interact. energy: 0.624 local terms energy: -351.821708 where: bonds (distance) C4'-P energy: -66.593 bonds (distance) P-C4' energy: -72.147 flat angles C4'-P-C4' energy: -74.433 flat angles P-C4'-P energy: -50.260 tors. eta vs tors. theta energy: -88.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1042.530104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.530104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.530104 (E_RNA) where: Base-Base interactions energy: -693.342 where: short stacking energy: -328.722 Base-Backbone interact. energy: 1.958 local terms energy: -351.146141 where: bonds (distance) C4'-P energy: -76.534 bonds (distance) P-C4' energy: -59.129 flat angles C4'-P-C4' energy: -67.523 flat angles P-C4'-P energy: -54.797 tors. eta vs tors. theta energy: -93.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -934.015231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.015231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.015231 (E_RNA) where: Base-Base interactions energy: -602.456 where: short stacking energy: -274.902 Base-Backbone interact. energy: -1.741 local terms energy: -329.819081 where: bonds (distance) C4'-P energy: -71.754 bonds (distance) P-C4' energy: -66.293 flat angles C4'-P-C4' energy: -67.905 flat angles P-C4'-P energy: -50.618 tors. eta vs tors. theta energy: -73.249 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: 4, replica: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -862.699070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.699070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.699070 (E_RNA) where: Base-Base interactions energy: -565.894 where: short stacking energy: -288.271 Base-Backbone interact. energy: 1.198 local terms energy: -298.002753 where: bonds (distance) C4'-P energy: -62.427 bonds (distance) P-C4' energy: -73.794 flat angles C4'-P-C4' energy: -57.970 flat angles P-C4'-P energy: -30.166 tors. eta vs tors. theta energy: -73.646 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: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -765.143127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.143127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.143127 (E_RNA) where: Base-Base interactions energy: -493.839 where: short stacking energy: -249.764 Base-Backbone interact. energy: 2.135 local terms energy: -273.438776 where: bonds (distance) C4'-P energy: -45.461 bonds (distance) P-C4' energy: -65.522 flat angles C4'-P-C4' energy: -61.384 flat angles P-C4'-P energy: -50.362 tors. eta vs tors. theta energy: -50.710 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: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -707.435472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.435472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.435472 (E_RNA) where: Base-Base interactions energy: -432.939 where: short stacking energy: -197.753 Base-Backbone interact. energy: -2.377 local terms energy: -272.119471 where: bonds (distance) C4'-P energy: -66.138 bonds (distance) P-C4' energy: -75.269 flat angles C4'-P-C4' energy: -54.351 flat angles P-C4'-P energy: -36.409 tors. eta vs tors. theta energy: -39.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -653.068552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.068552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.068552 (E_RNA) where: Base-Base interactions energy: -396.887 where: short stacking energy: -199.185 Base-Backbone interact. energy: -1.866 local terms energy: -254.316359 where: bonds (distance) C4'-P energy: -56.707 bonds (distance) P-C4' energy: -67.874 flat angles C4'-P-C4' energy: -49.308 flat angles P-C4'-P energy: -37.423 tors. eta vs tors. theta energy: -43.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -637.964627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.964627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.964627 (E_RNA) where: Base-Base interactions energy: -400.898 where: short stacking energy: -185.188 Base-Backbone interact. energy: -1.473 local terms energy: -235.594199 where: bonds (distance) C4'-P energy: -51.138 bonds (distance) P-C4' energy: -52.821 flat angles C4'-P-C4' energy: -68.619 flat angles P-C4'-P energy: -23.584 tors. eta vs tors. theta energy: -39.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -390.347133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.347133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.347133 (E_RNA) where: Base-Base interactions energy: -180.430 where: short stacking energy: -122.982 Base-Backbone interact. energy: 0.859 local terms energy: -210.776284 where: bonds (distance) C4'-P energy: -55.285 bonds (distance) P-C4' energy: -61.804 flat angles C4'-P-C4' energy: -45.361 flat angles P-C4'-P energy: -39.525 tors. eta vs tors. theta energy: -8.801 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: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -286.857206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.857206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.857206 (E_RNA) where: Base-Base interactions energy: -103.819 where: short stacking energy: -72.349 Base-Backbone interact. energy: 0.788 local terms energy: -183.826873 where: bonds (distance) C4'-P energy: -46.998 bonds (distance) P-C4' energy: -66.059 flat angles C4'-P-C4' energy: -53.944 flat angles P-C4'-P energy: -34.168 tors. eta vs tors. theta energy: 17.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1040.076122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.076122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.076122 (E_RNA) where: Base-Base interactions energy: -686.825 where: short stacking energy: -339.056 Base-Backbone interact. energy: -0.152 local terms energy: -353.098640 where: bonds (distance) C4'-P energy: -69.206 bonds (distance) P-C4' energy: -64.922 flat angles C4'-P-C4' energy: -79.228 flat angles P-C4'-P energy: -53.555 tors. eta vs tors. theta energy: -86.188 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: 2, replica: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1021.007047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.007047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.007047 (E_RNA) where: Base-Base interactions energy: -668.751 where: short stacking energy: -301.838 Base-Backbone interact. energy: 1.054 local terms energy: -353.309645 where: bonds (distance) C4'-P energy: -68.366 bonds (distance) P-C4' energy: -69.893 flat angles C4'-P-C4' energy: -75.493 flat angles P-C4'-P energy: -50.534 tors. eta vs tors. theta energy: -89.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -953.418214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.418214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.418214 (E_RNA) where: Base-Base interactions energy: -629.674 where: short stacking energy: -276.965 Base-Backbone interact. energy: -0.040 local terms energy: -323.704241 where: bonds (distance) C4'-P energy: -68.106 bonds (distance) P-C4' energy: -64.300 flat angles C4'-P-C4' energy: -69.389 flat angles P-C4'-P energy: -51.663 tors. eta vs tors. theta energy: -70.246 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: 9 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -863.972955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.972955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.972955 (E_RNA) where: Base-Base interactions energy: -554.379 where: short stacking energy: -270.818 Base-Backbone interact. energy: -0.623 local terms energy: -308.970900 where: bonds (distance) C4'-P energy: -64.582 bonds (distance) P-C4' energy: -53.525 flat angles C4'-P-C4' energy: -64.305 flat angles P-C4'-P energy: -51.086 tors. eta vs tors. theta energy: -75.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -759.110295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.110295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.110295 (E_RNA) where: Base-Base interactions energy: -466.952 where: short stacking energy: -222.864 Base-Backbone interact. energy: -2.546 local terms energy: -289.612044 where: bonds (distance) C4'-P energy: -63.789 bonds (distance) P-C4' energy: -67.846 flat angles C4'-P-C4' energy: -69.022 flat angles P-C4'-P energy: -38.151 tors. eta vs tors. theta energy: -50.804 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: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -712.863468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.863468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.863468 (E_RNA) where: Base-Base interactions energy: -440.140 where: short stacking energy: -218.390 Base-Backbone interact. energy: -0.467 local terms energy: -272.256319 where: bonds (distance) C4'-P energy: -50.419 bonds (distance) P-C4' energy: -61.757 flat angles C4'-P-C4' energy: -53.099 flat angles P-C4'-P energy: -56.021 tors. eta vs tors. theta energy: -50.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -667.800122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.800122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.800122 (E_RNA) where: Base-Base interactions energy: -393.667 where: short stacking energy: -181.000 Base-Backbone interact. energy: 0.416 local terms energy: -274.549420 where: bonds (distance) C4'-P energy: -65.092 bonds (distance) P-C4' energy: -63.532 flat angles C4'-P-C4' energy: -60.416 flat angles P-C4'-P energy: -39.620 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: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -586.281013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.281013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.281013 (E_RNA) where: Base-Base interactions energy: -342.584 where: short stacking energy: -172.850 Base-Backbone interact. energy: 0.874 local terms energy: -244.571570 where: bonds (distance) C4'-P energy: -67.056 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -48.609 flat angles P-C4'-P energy: -34.092 tors. eta vs tors. theta energy: -26.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -370.001637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.001637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.001637 (E_RNA) where: Base-Base interactions energy: -176.717 where: short stacking energy: -103.972 Base-Backbone interact. energy: 1.413 local terms energy: -194.698315 where: bonds (distance) C4'-P energy: -46.758 bonds (distance) P-C4' energy: -63.225 flat angles C4'-P-C4' energy: -50.706 flat angles P-C4'-P energy: -42.054 tors. eta vs tors. theta energy: 8.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -295.004867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.004867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.004867 (E_RNA) where: Base-Base interactions energy: -113.009 where: short stacking energy: -80.535 Base-Backbone interact. energy: -1.215 local terms energy: -180.781405 where: bonds (distance) C4'-P energy: -56.931 bonds (distance) P-C4' energy: -62.772 flat angles C4'-P-C4' energy: -48.541 flat angles P-C4'-P energy: -26.184 tors. eta vs tors. theta energy: 13.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1053.921733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.921733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.921733 (E_RNA) where: Base-Base interactions energy: -690.625 where: short stacking energy: -339.856 Base-Backbone interact. energy: 1.212 local terms energy: -364.508848 where: bonds (distance) C4'-P energy: -74.511 bonds (distance) P-C4' energy: -68.317 flat angles C4'-P-C4' energy: -81.172 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: -85.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1046.688466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.688466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.688466 (E_RNA) where: Base-Base interactions energy: -700.671 where: short stacking energy: -321.673 Base-Backbone interact. energy: 3.592 local terms energy: -349.609782 where: bonds (distance) C4'-P energy: -61.931 bonds (distance) P-C4' energy: -70.650 flat angles C4'-P-C4' energy: -73.595 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -91.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -944.372671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.372671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.372671 (E_RNA) where: Base-Base interactions energy: -623.194 where: short stacking energy: -285.774 Base-Backbone interact. energy: -1.648 local terms energy: -319.530709 where: bonds (distance) C4'-P energy: -72.621 bonds (distance) P-C4' energy: -64.386 flat angles C4'-P-C4' energy: -73.989 flat angles P-C4'-P energy: -39.299 tors. eta vs tors. theta energy: -69.236 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: 9 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -874.077730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.077730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.077730 (E_RNA) where: Base-Base interactions energy: -546.098 where: short stacking energy: -254.835 Base-Backbone interact. energy: -1.729 local terms energy: -326.250052 where: bonds (distance) C4'-P energy: -71.521 bonds (distance) P-C4' energy: -57.242 flat angles C4'-P-C4' energy: -78.617 flat angles P-C4'-P energy: -45.865 tors. eta vs tors. theta energy: -73.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -779.516847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.516847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.516847 (E_RNA) where: Base-Base interactions energy: -485.642 where: short stacking energy: -238.771 Base-Backbone interact. energy: 3.455 local terms energy: -297.329510 where: bonds (distance) C4'-P energy: -70.921 bonds (distance) P-C4' energy: -58.399 flat angles C4'-P-C4' energy: -66.608 flat angles P-C4'-P energy: -43.885 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: 6, replica: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -682.934074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.934074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.934074 (E_RNA) where: Base-Base interactions energy: -443.491 where: short stacking energy: -193.545 Base-Backbone interact. energy: 0.047 local terms energy: -239.489759 where: bonds (distance) C4'-P energy: -52.686 bonds (distance) P-C4' energy: -70.621 flat angles C4'-P-C4' energy: -50.668 flat angles P-C4'-P energy: -34.483 tors. eta vs tors. theta energy: -31.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -685.620484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.620484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.620484 (E_RNA) where: Base-Base interactions energy: -424.216 where: short stacking energy: -190.075 Base-Backbone interact. energy: -1.541 local terms energy: -259.864251 where: bonds (distance) C4'-P energy: -67.196 bonds (distance) P-C4' energy: -63.050 flat angles C4'-P-C4' energy: -52.342 flat angles P-C4'-P energy: -38.965 tors. eta vs tors. theta energy: -38.311 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: 54 Temperature: 1.250000 Total energy: -580.913232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.913232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.913232 (E_RNA) where: Base-Base interactions energy: -334.772 where: short stacking energy: -173.469 Base-Backbone interact. energy: -0.708 local terms energy: -245.433084 where: bonds (distance) C4'-P energy: -56.977 bonds (distance) P-C4' energy: -73.247 flat angles C4'-P-C4' energy: -50.072 flat angles P-C4'-P energy: -26.347 tors. eta vs tors. theta energy: -38.791 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: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -319.207218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.207218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.207218 (E_RNA) where: Base-Base interactions energy: -118.751 where: short stacking energy: -108.100 Base-Backbone interact. energy: -3.176 local terms energy: -197.280113 where: bonds (distance) C4'-P energy: -49.658 bonds (distance) P-C4' energy: -52.622 flat angles C4'-P-C4' energy: -60.270 flat angles P-C4'-P energy: -32.546 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -370.471263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.471263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.471263 (E_RNA) where: Base-Base interactions energy: -177.888 where: short stacking energy: -102.723 Base-Backbone interact. energy: -0.033 local terms energy: -192.550826 where: bonds (distance) C4'-P energy: -54.018 bonds (distance) P-C4' energy: -59.523 flat angles C4'-P-C4' energy: -57.201 flat angles P-C4'-P energy: -20.734 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1043.374599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.374599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.374599 (E_RNA) where: Base-Base interactions energy: -686.858 where: short stacking energy: -342.759 Base-Backbone interact. energy: 0.307 local terms energy: -356.823300 where: bonds (distance) C4'-P energy: -68.389 bonds (distance) P-C4' energy: -64.361 flat angles C4'-P-C4' energy: -79.904 flat angles P-C4'-P energy: -53.648 tors. eta vs tors. theta energy: -90.521 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: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1031.871750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.871750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.871750 (E_RNA) where: Base-Base interactions energy: -680.410 where: short stacking energy: -315.773 Base-Backbone interact. energy: -0.697 local terms energy: -350.764917 where: bonds (distance) C4'-P energy: -67.422 bonds (distance) P-C4' energy: -69.360 flat angles C4'-P-C4' energy: -75.303 flat angles P-C4'-P energy: -46.148 tors. eta vs tors. theta energy: -92.533 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: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1014.796219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.796219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.796219 (E_RNA) where: Base-Base interactions energy: -675.342 where: short stacking energy: -321.937 Base-Backbone interact. energy: -1.084 local terms energy: -338.370483 where: bonds (distance) C4'-P energy: -56.220 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -71.958 flat angles P-C4'-P energy: -56.927 tors. eta vs tors. theta energy: -83.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -893.508164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.508164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.508164 (E_RNA) where: Base-Base interactions energy: -573.755 where: short stacking energy: -287.789 Base-Backbone interact. energy: -1.767 local terms energy: -317.985753 where: bonds (distance) C4'-P energy: -64.114 bonds (distance) P-C4' energy: -57.720 flat angles C4'-P-C4' energy: -78.463 flat angles P-C4'-P energy: -45.859 tors. eta vs tors. theta energy: -71.829 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: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -737.886434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.886434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.886434 (E_RNA) where: Base-Base interactions energy: -454.771 where: short stacking energy: -230.255 Base-Backbone interact. energy: 0.612 local terms energy: -283.727155 where: bonds (distance) C4'-P energy: -57.900 bonds (distance) P-C4' energy: -67.713 flat angles C4'-P-C4' energy: -65.247 flat angles P-C4'-P energy: -41.089 tors. eta vs tors. theta energy: -51.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -742.749981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.749981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.749981 (E_RNA) where: Base-Base interactions energy: -466.779 where: short stacking energy: -224.483 Base-Backbone interact. energy: -1.088 local terms energy: -274.882852 where: bonds (distance) C4'-P energy: -57.443 bonds (distance) P-C4' energy: -58.019 flat angles C4'-P-C4' energy: -67.343 flat angles P-C4'-P energy: -35.081 tors. eta vs tors. theta energy: -56.998 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: 7, replica: 2 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -640.370184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.370184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.370184 (E_RNA) where: Base-Base interactions energy: -390.227 where: short stacking energy: -161.882 Base-Backbone interact. energy: -0.687 local terms energy: -249.455779 where: bonds (distance) C4'-P energy: -53.540 bonds (distance) P-C4' energy: -61.135 flat angles C4'-P-C4' energy: -56.385 flat angles P-C4'-P energy: -49.611 tors. eta vs tors. theta energy: -28.784 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: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -628.761356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.761356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.761356 (E_RNA) where: Base-Base interactions energy: -387.073 where: short stacking energy: -169.245 Base-Backbone interact. energy: -0.159 local terms energy: -241.529829 where: bonds (distance) C4'-P energy: -58.361 bonds (distance) P-C4' energy: -69.659 flat angles C4'-P-C4' energy: -48.937 flat angles P-C4'-P energy: -30.387 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: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -352.029282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.029282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.029282 (E_RNA) where: Base-Base interactions energy: -158.703 where: short stacking energy: -106.035 Base-Backbone interact. energy: 1.366 local terms energy: -194.692709 where: bonds (distance) C4'-P energy: -59.765 bonds (distance) P-C4' energy: -64.625 flat angles C4'-P-C4' energy: -46.331 flat angles P-C4'-P energy: -28.672 tors. eta vs tors. theta energy: 4.701 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: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -382.260632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.260632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.260632 (E_RNA) where: Base-Base interactions energy: -190.456 where: short stacking energy: -122.611 Base-Backbone interact. energy: 8.550 local terms energy: -200.355041 where: bonds (distance) C4'-P energy: -52.390 bonds (distance) P-C4' energy: -60.916 flat angles C4'-P-C4' energy: -46.076 flat angles P-C4'-P energy: -41.631 tors. eta vs tors. theta energy: 0.659 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: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1070.279922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.279922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.279922 (E_RNA) where: Base-Base interactions energy: -718.903 where: short stacking energy: -336.146 Base-Backbone interact. energy: 0.232 local terms energy: -351.608762 where: bonds (distance) C4'-P energy: -64.723 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -77.760 flat angles P-C4'-P energy: -55.875 tors. eta vs tors. theta energy: -87.350 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: 2, replica: 4 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1036.596149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.596149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.596149 (E_RNA) where: Base-Base interactions energy: -680.315 where: short stacking energy: -333.228 Base-Backbone interact. energy: -0.915 local terms energy: -355.365421 where: bonds (distance) C4'-P energy: -64.670 bonds (distance) P-C4' energy: -67.955 flat angles C4'-P-C4' energy: -79.307 flat angles P-C4'-P energy: -50.673 tors. eta vs tors. theta energy: -92.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -993.303071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.303071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.303071 (E_RNA) where: Base-Base interactions energy: -656.597 where: short stacking energy: -276.764 Base-Backbone interact. energy: -4.213 local terms energy: -332.493665 where: bonds (distance) C4'-P energy: -66.442 bonds (distance) P-C4' energy: -68.430 flat angles C4'-P-C4' energy: -70.337 flat angles P-C4'-P energy: -48.102 tors. eta vs tors. theta energy: -79.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -869.120060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.120060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.120060 (E_RNA) where: Base-Base interactions energy: -528.469 where: short stacking energy: -254.511 Base-Backbone interact. energy: -1.357 local terms energy: -339.293797 where: bonds (distance) C4'-P energy: -73.360 bonds (distance) P-C4' energy: -70.154 flat angles C4'-P-C4' energy: -79.967 flat angles P-C4'-P energy: -45.601 tors. eta vs tors. theta energy: -70.212 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: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -789.499994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.499994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.499994 (E_RNA) where: Base-Base interactions energy: -493.218 where: short stacking energy: -260.299 Base-Backbone interact. energy: 3.488 local terms energy: -299.770680 where: bonds (distance) C4'-P energy: -56.642 bonds (distance) P-C4' energy: -69.420 flat angles C4'-P-C4' energy: -70.546 flat angles P-C4'-P energy: -41.557 tors. eta vs tors. theta energy: -61.606 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: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -701.416119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.416119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.416119 (E_RNA) where: Base-Base interactions energy: -433.759 where: short stacking energy: -215.400 Base-Backbone interact. energy: -1.079 local terms energy: -266.577805 where: bonds (distance) C4'-P energy: -56.547 bonds (distance) P-C4' energy: -64.144 flat angles C4'-P-C4' energy: -59.849 flat angles P-C4'-P energy: -44.620 tors. eta vs tors. theta energy: -41.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -673.736175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.736175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.736175 (E_RNA) where: Base-Base interactions energy: -420.907 where: short stacking energy: -195.532 Base-Backbone interact. energy: 0.955 local terms energy: -253.783831 where: bonds (distance) C4'-P energy: -57.932 bonds (distance) P-C4' energy: -58.471 flat angles C4'-P-C4' energy: -60.039 flat angles P-C4'-P energy: -37.517 tors. eta vs tors. theta energy: -39.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -628.113508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.113508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.113508 (E_RNA) where: Base-Base interactions energy: -393.077 where: short stacking energy: -167.541 Base-Backbone interact. energy: -0.148 local terms energy: -234.888085 where: bonds (distance) C4'-P energy: -60.717 bonds (distance) P-C4' energy: -65.982 flat angles C4'-P-C4' energy: -51.069 flat angles P-C4'-P energy: -40.258 tors. eta vs tors. theta energy: -16.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -445.742168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.742168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.742168 (E_RNA) where: Base-Base interactions energy: -245.241 where: short stacking energy: -126.571 Base-Backbone interact. energy: -2.042 local terms energy: -198.458536 where: bonds (distance) C4'-P energy: -57.946 bonds (distance) P-C4' energy: -56.711 flat angles C4'-P-C4' energy: -42.765 flat angles P-C4'-P energy: -33.663 tors. eta vs tors. theta energy: -7.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -380.851942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.851942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.851942 (E_RNA) where: Base-Base interactions energy: -192.409 where: short stacking energy: -111.454 Base-Backbone interact. energy: -1.542 local terms energy: -186.900226 where: bonds (distance) C4'-P energy: -56.538 bonds (distance) P-C4' energy: -44.853 flat angles C4'-P-C4' energy: -52.483 flat angles P-C4'-P energy: -20.585 tors. eta vs tors. theta energy: -12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1055.733938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.733938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.733938 (E_RNA) where: Base-Base interactions energy: -698.180 where: short stacking energy: -331.843 Base-Backbone interact. energy: 0.169 local terms energy: -357.723505 where: bonds (distance) C4'-P energy: -68.273 bonds (distance) P-C4' energy: -73.438 flat angles C4'-P-C4' energy: -71.126 flat angles P-C4'-P energy: -53.818 tors. eta vs tors. theta energy: -91.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1035.705785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.705785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.705785 (E_RNA) where: Base-Base interactions energy: -677.776 where: short stacking energy: -319.801 Base-Backbone interact. energy: 1.475 local terms energy: -359.405368 where: bonds (distance) C4'-P energy: -73.981 bonds (distance) P-C4' energy: -74.982 flat angles C4'-P-C4' energy: -68.347 flat angles P-C4'-P energy: -48.653 tors. eta vs tors. theta energy: -93.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -995.318013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.318013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.318013 (E_RNA) where: Base-Base interactions energy: -673.181 where: short stacking energy: -296.080 Base-Backbone interact. energy: 6.004 local terms energy: -328.141024 where: bonds (distance) C4'-P energy: -58.207 bonds (distance) P-C4' energy: -68.865 flat angles C4'-P-C4' energy: -72.566 flat angles P-C4'-P energy: -48.740 tors. eta vs tors. theta energy: -79.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -921.205283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.205283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.205283 (E_RNA) where: Base-Base interactions energy: -613.673 where: short stacking energy: -291.077 Base-Backbone interact. energy: -2.483 local terms energy: -305.049797 where: bonds (distance) C4'-P energy: -47.313 bonds (distance) P-C4' energy: -66.472 flat angles C4'-P-C4' energy: -67.798 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: -81.370 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: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -770.208947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.208947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.208947 (E_RNA) where: Base-Base interactions energy: -501.109 where: short stacking energy: -242.125 Base-Backbone interact. energy: -0.721 local terms energy: -268.378907 where: bonds (distance) C4'-P energy: -50.579 bonds (distance) P-C4' energy: -69.757 flat angles C4'-P-C4' energy: -62.734 flat angles P-C4'-P energy: -44.852 tors. eta vs tors. theta energy: -40.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -688.763126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.763126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.763126 (E_RNA) where: Base-Base interactions energy: -429.213 where: short stacking energy: -211.050 Base-Backbone interact. energy: -0.722 local terms energy: -258.828084 where: bonds (distance) C4'-P energy: -47.286 bonds (distance) P-C4' energy: -64.516 flat angles C4'-P-C4' energy: -61.400 flat angles P-C4'-P energy: -40.273 tors. eta vs tors. theta energy: -45.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -645.289707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.289707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.289707 (E_RNA) where: Base-Base interactions energy: -395.658 where: short stacking energy: -199.458 Base-Backbone interact. energy: -1.472 local terms energy: -248.159880 where: bonds (distance) C4'-P energy: -54.065 bonds (distance) P-C4' energy: -62.010 flat angles C4'-P-C4' energy: -53.313 flat angles P-C4'-P energy: -37.755 tors. eta vs tors. theta energy: -41.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -575.384608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.384608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.384608 (E_RNA) where: Base-Base interactions energy: -344.053 where: short stacking energy: -164.047 Base-Backbone interact. energy: -0.145 local terms energy: -231.186115 where: bonds (distance) C4'-P energy: -65.068 bonds (distance) P-C4' energy: -60.827 flat angles C4'-P-C4' energy: -44.155 flat angles P-C4'-P energy: -32.469 tors. eta vs tors. theta energy: -28.666 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: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -437.106895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.106895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.106895 (E_RNA) where: Base-Base interactions energy: -238.256 where: short stacking energy: -135.440 Base-Backbone interact. energy: 2.590 local terms energy: -201.440643 where: bonds (distance) C4'-P energy: -50.528 bonds (distance) P-C4' energy: -59.871 flat angles C4'-P-C4' energy: -52.140 flat angles P-C4'-P energy: -30.534 tors. eta vs tors. theta energy: -8.368 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: 57 Temperature: 1.350000 Total energy: -372.070849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.070849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.070849 (E_RNA) where: Base-Base interactions energy: -170.150 where: short stacking energy: -97.437 Base-Backbone interact. energy: -1.535 local terms energy: -200.386271 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -69.228 flat angles C4'-P-C4' energy: -43.626 flat angles P-C4'-P energy: -25.620 tors. eta vs tors. theta energy: -5.312 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: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1049.727258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.727258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.727258 (E_RNA) where: Base-Base interactions energy: -707.096 where: short stacking energy: -335.318 Base-Backbone interact. energy: -2.135 local terms energy: -340.496438 where: bonds (distance) C4'-P energy: -60.878 bonds (distance) P-C4' energy: -65.260 flat angles C4'-P-C4' energy: -71.688 flat angles P-C4'-P energy: -51.806 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: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1012.898060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.898060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.898060 (E_RNA) where: Base-Base interactions energy: -660.459 where: short stacking energy: -316.696 Base-Backbone interact. energy: -2.393 local terms energy: -350.046352 where: bonds (distance) C4'-P energy: -64.116 bonds (distance) P-C4' energy: -69.748 flat angles C4'-P-C4' energy: -82.211 flat angles P-C4'-P energy: -47.784 tors. eta vs tors. theta energy: -86.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -968.350690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.350690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.350690 (E_RNA) where: Base-Base interactions energy: -647.323 where: short stacking energy: -313.277 Base-Backbone interact. energy: 0.788 local terms energy: -321.815866 where: bonds (distance) C4'-P energy: -56.552 bonds (distance) P-C4' energy: -66.815 flat angles C4'-P-C4' energy: -68.656 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: -84.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -921.835552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.835552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.835552 (E_RNA) where: Base-Base interactions energy: -587.493 where: short stacking energy: -288.362 Base-Backbone interact. energy: -1.611 local terms energy: -332.732165 where: bonds (distance) C4'-P energy: -66.807 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -73.504 flat angles P-C4'-P energy: -49.011 tors. eta vs tors. theta energy: -81.388 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: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -762.811424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.811424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.811424 (E_RNA) where: Base-Base interactions energy: -491.404 where: short stacking energy: -251.723 Base-Backbone interact. energy: -4.024 local terms energy: -267.383232 where: bonds (distance) C4'-P energy: -50.436 bonds (distance) P-C4' energy: -51.896 flat angles C4'-P-C4' energy: -61.727 flat angles P-C4'-P energy: -41.089 tors. eta vs tors. theta energy: -62.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -683.628286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.628286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.628286 (E_RNA) where: Base-Base interactions energy: -413.552 where: short stacking energy: -209.421 Base-Backbone interact. energy: 1.112 local terms energy: -271.187780 where: bonds (distance) C4'-P energy: -54.614 bonds (distance) P-C4' energy: -71.689 flat angles C4'-P-C4' energy: -54.870 flat angles P-C4'-P energy: -41.021 tors. eta vs tors. theta energy: -48.995 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: 2 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -633.926642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.926642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.926642 (E_RNA) where: Base-Base interactions energy: -390.141 where: short stacking energy: -199.278 Base-Backbone interact. energy: 0.774 local terms energy: -244.559636 where: bonds (distance) C4'-P energy: -54.165 bonds (distance) P-C4' energy: -52.355 flat angles C4'-P-C4' energy: -71.104 flat angles P-C4'-P energy: -36.322 tors. eta vs tors. theta energy: -30.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -601.473022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.473022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.473022 (E_RNA) where: Base-Base interactions energy: -351.154 where: short stacking energy: -171.867 Base-Backbone interact. energy: -0.162 local terms energy: -250.157237 where: bonds (distance) C4'-P energy: -67.799 bonds (distance) P-C4' energy: -60.736 flat angles C4'-P-C4' energy: -60.545 flat angles P-C4'-P energy: -32.283 tors. eta vs tors. theta energy: -28.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -435.566904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.566904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.566904 (E_RNA) where: Base-Base interactions energy: -233.973 where: short stacking energy: -115.827 Base-Backbone interact. energy: 0.442 local terms energy: -202.035316 where: bonds (distance) C4'-P energy: -47.674 bonds (distance) P-C4' energy: -59.110 flat angles C4'-P-C4' energy: -61.649 flat angles P-C4'-P energy: -34.993 tors. eta vs tors. theta energy: 1.391 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: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -369.372534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.372534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.372534 (E_RNA) where: Base-Base interactions energy: -181.689 where: short stacking energy: -101.241 Base-Backbone interact. energy: -0.731 local terms energy: -186.952733 where: bonds (distance) C4'-P energy: -42.496 bonds (distance) P-C4' energy: -74.848 flat angles C4'-P-C4' energy: -40.007 flat angles P-C4'-P energy: -31.803 tors. eta vs tors. theta energy: 2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1041.676651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.676651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.676651 (E_RNA) where: Base-Base interactions energy: -681.291 where: short stacking energy: -325.048 Base-Backbone interact. energy: -2.306 local terms energy: -358.079431 where: bonds (distance) C4'-P energy: -71.167 bonds (distance) P-C4' energy: -74.546 flat angles C4'-P-C4' energy: -71.230 flat angles P-C4'-P energy: -52.640 tors. eta vs tors. theta energy: -88.495 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: 2, replica: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1021.758123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.758123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.758123 (E_RNA) where: Base-Base interactions energy: -665.056 where: short stacking energy: -318.242 Base-Backbone interact. energy: -4.670 local terms energy: -352.031999 where: bonds (distance) C4'-P energy: -65.624 bonds (distance) P-C4' energy: -68.587 flat angles C4'-P-C4' energy: -78.891 flat angles P-C4'-P energy: -60.848 tors. eta vs tors. theta energy: -78.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -976.596241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.596241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.596241 (E_RNA) where: Base-Base interactions energy: -652.891 where: short stacking energy: -306.458 Base-Backbone interact. energy: 1.239 local terms energy: -324.944484 where: bonds (distance) C4'-P energy: -51.423 bonds (distance) P-C4' energy: -66.037 flat angles C4'-P-C4' energy: -72.881 flat angles P-C4'-P energy: -51.134 tors. eta vs tors. theta energy: -83.470 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: 4, replica: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -942.739323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.739323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.739323 (E_RNA) where: Base-Base interactions energy: -634.290 where: short stacking energy: -271.940 Base-Backbone interact. energy: -2.087 local terms energy: -306.362428 where: bonds (distance) C4'-P energy: -58.826 bonds (distance) P-C4' energy: -58.628 flat angles C4'-P-C4' energy: -71.665 flat angles P-C4'-P energy: -52.112 tors. eta vs tors. theta energy: -65.133 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: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -764.417582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.417582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.417582 (E_RNA) where: Base-Base interactions energy: -452.774 where: short stacking energy: -234.404 Base-Backbone interact. energy: -0.713 local terms energy: -310.930476 where: bonds (distance) C4'-P energy: -63.061 bonds (distance) P-C4' energy: -69.858 flat angles C4'-P-C4' energy: -68.840 flat angles P-C4'-P energy: -52.397 tors. eta vs tors. theta energy: -56.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -694.031883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.031883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.031883 (E_RNA) where: Base-Base interactions energy: -424.173 where: short stacking energy: -206.909 Base-Backbone interact. energy: 3.133 local terms energy: -272.992049 where: bonds (distance) C4'-P energy: -60.751 bonds (distance) P-C4' energy: -60.837 flat angles C4'-P-C4' energy: -64.003 flat angles P-C4'-P energy: -41.984 tors. eta vs tors. theta energy: -45.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -624.440273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.440273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.440273 (E_RNA) where: Base-Base interactions energy: -387.561 where: short stacking energy: -171.325 Base-Backbone interact. energy: -0.398 local terms energy: -236.481853 where: bonds (distance) C4'-P energy: -60.013 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -60.205 flat angles P-C4'-P energy: -25.965 tors. eta vs tors. theta energy: -29.244 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: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -589.684764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.684764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.684764 (E_RNA) where: Base-Base interactions energy: -333.241 where: short stacking energy: -163.032 Base-Backbone interact. energy: -0.850 local terms energy: -255.593407 where: bonds (distance) C4'-P energy: -50.737 bonds (distance) P-C4' energy: -63.349 flat angles C4'-P-C4' energy: -72.864 flat angles P-C4'-P energy: -38.217 tors. eta vs tors. theta energy: -30.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -458.063785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.063785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.063785 (E_RNA) where: Base-Base interactions energy: -244.451 where: short stacking energy: -129.559 Base-Backbone interact. energy: 1.189 local terms energy: -214.801681 where: bonds (distance) C4'-P energy: -63.542 bonds (distance) P-C4' energy: -57.530 flat angles C4'-P-C4' energy: -57.384 flat angles P-C4'-P energy: -24.877 tors. eta vs tors. theta energy: -11.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -318.891390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.891390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.891390 (E_RNA) where: Base-Base interactions energy: -129.910 where: short stacking energy: -87.798 Base-Backbone interact. energy: 4.254 local terms energy: -193.234566 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -48.774 flat angles C4'-P-C4' energy: -44.983 flat angles P-C4'-P energy: -38.792 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1071.983462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.983462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.983462 (E_RNA) where: Base-Base interactions energy: -726.560 where: short stacking energy: -325.261 Base-Backbone interact. energy: -4.033 local terms energy: -341.390692 where: bonds (distance) C4'-P energy: -67.881 bonds (distance) P-C4' energy: -61.054 flat angles C4'-P-C4' energy: -73.057 flat angles P-C4'-P energy: -50.617 tors. eta vs tors. theta energy: -88.783 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: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1019.543260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.543260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.543260 (E_RNA) where: Base-Base interactions energy: -681.195 where: short stacking energy: -321.276 Base-Backbone interact. energy: -0.895 local terms energy: -337.453526 where: bonds (distance) C4'-P energy: -68.745 bonds (distance) P-C4' energy: -56.900 flat angles C4'-P-C4' energy: -71.772 flat angles P-C4'-P energy: -55.655 tors. eta vs tors. theta energy: -84.381 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: 9 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1014.737834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.737834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.737834 (E_RNA) where: Base-Base interactions energy: -683.784 where: short stacking energy: -295.009 Base-Backbone interact. energy: -0.375 local terms energy: -330.579020 where: bonds (distance) C4'-P energy: -67.165 bonds (distance) P-C4' energy: -72.793 flat angles C4'-P-C4' energy: -71.989 flat angles P-C4'-P energy: -45.276 tors. eta vs tors. theta energy: -73.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -922.918751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.918751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.918751 (E_RNA) where: Base-Base interactions energy: -587.193 where: short stacking energy: -293.288 Base-Backbone interact. energy: 0.536 local terms energy: -336.261484 where: bonds (distance) C4'-P energy: -66.437 bonds (distance) P-C4' energy: -74.252 flat angles C4'-P-C4' energy: -76.752 flat angles P-C4'-P energy: -34.870 tors. eta vs tors. theta energy: -83.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -744.094810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.094810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.094810 (E_RNA) where: Base-Base interactions energy: -458.981 where: short stacking energy: -243.248 Base-Backbone interact. energy: 0.621 local terms energy: -285.734452 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -62.443 flat angles C4'-P-C4' energy: -67.752 flat angles P-C4'-P energy: -38.640 tors. eta vs tors. theta energy: -58.462 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: 60 Temperature: 1.150000 Total energy: -789.289051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.289051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.289051 (E_RNA) where: Base-Base interactions energy: -507.865 where: short stacking energy: -255.779 Base-Backbone interact. energy: 0.085 local terms energy: -281.509176 where: bonds (distance) C4'-P energy: -45.424 bonds (distance) P-C4' energy: -51.967 flat angles C4'-P-C4' energy: -71.121 flat angles P-C4'-P energy: -41.388 tors. eta vs tors. theta energy: -71.609 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: 60 Temperature: 1.200000 Total energy: -657.992722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.992722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.992722 (E_RNA) where: Base-Base interactions energy: -419.937 where: short stacking energy: -198.353 Base-Backbone interact. energy: -1.934 local terms energy: -236.122203 where: bonds (distance) C4'-P energy: -45.770 bonds (distance) P-C4' energy: -59.622 flat angles C4'-P-C4' energy: -55.772 flat angles P-C4'-P energy: -31.680 tors. eta vs tors. theta energy: -43.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -566.810192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.810192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.810192 (E_RNA) where: Base-Base interactions energy: -331.222 where: short stacking energy: -164.069 Base-Backbone interact. energy: 0.553 local terms energy: -236.141075 where: bonds (distance) C4'-P energy: -60.911 bonds (distance) P-C4' energy: -62.415 flat angles C4'-P-C4' energy: -51.131 flat angles P-C4'-P energy: -34.855 tors. eta vs tors. theta energy: -26.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -478.886397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.886397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.886397 (E_RNA) where: Base-Base interactions energy: -270.101 where: short stacking energy: -137.705 Base-Backbone interact. energy: 7.066 local terms energy: -215.850806 where: bonds (distance) C4'-P energy: -54.946 bonds (distance) P-C4' energy: -62.669 flat angles C4'-P-C4' energy: -54.963 flat angles P-C4'-P energy: -29.419 tors. eta vs tors. theta energy: -13.854 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: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -352.080029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.080029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.080029 (E_RNA) where: Base-Base interactions energy: -158.761 where: short stacking energy: -94.367 Base-Backbone interact. energy: -0.587 local terms energy: -192.732434 where: bonds (distance) C4'-P energy: -50.853 bonds (distance) P-C4' energy: -60.867 flat angles C4'-P-C4' energy: -48.067 flat angles P-C4'-P energy: -40.321 tors. eta vs tors. theta energy: 7.376 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: 61 Temperature: 0.900000 Total energy: -1065.181853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.181853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.181853 (E_RNA) where: Base-Base interactions energy: -710.109 where: short stacking energy: -311.930 Base-Backbone interact. energy: -3.046 local terms energy: -352.026871 where: bonds (distance) C4'-P energy: -62.896 bonds (distance) P-C4' energy: -78.725 flat angles C4'-P-C4' energy: -71.901 flat angles P-C4'-P energy: -58.987 tors. eta vs tors. theta energy: -79.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1022.442274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.442274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.442274 (E_RNA) where: Base-Base interactions energy: -659.239 where: short stacking energy: -296.964 Base-Backbone interact. energy: -2.329 local terms energy: -360.874838 where: bonds (distance) C4'-P energy: -66.693 bonds (distance) P-C4' energy: -69.399 flat angles C4'-P-C4' energy: -78.939 flat angles P-C4'-P energy: -51.758 tors. eta vs tors. theta energy: -94.086 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: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -947.884039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.884039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.884039 (E_RNA) where: Base-Base interactions energy: -628.087 where: short stacking energy: -284.616 Base-Backbone interact. energy: -1.704 local terms energy: -318.093030 where: bonds (distance) C4'-P energy: -50.120 bonds (distance) P-C4' energy: -64.313 flat angles C4'-P-C4' energy: -69.408 flat angles P-C4'-P energy: -48.149 tors. eta vs tors. theta energy: -86.102 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: 61 Temperature: 1.050000 Total energy: -932.685563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.685563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.685563 (E_RNA) where: Base-Base interactions energy: -626.547 where: short stacking energy: -275.182 Base-Backbone interact. energy: 0.478 local terms energy: -306.617120 where: bonds (distance) C4'-P energy: -72.258 bonds (distance) P-C4' energy: -57.915 flat angles C4'-P-C4' energy: -62.453 flat angles P-C4'-P energy: -46.866 tors. eta vs tors. theta energy: -67.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -816.218770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.218770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.218770 (E_RNA) where: Base-Base interactions energy: -515.784 where: short stacking energy: -270.749 Base-Backbone interact. energy: 1.433 local terms energy: -301.867604 where: bonds (distance) C4'-P energy: -54.574 bonds (distance) P-C4' energy: -69.097 flat angles C4'-P-C4' energy: -68.747 flat angles P-C4'-P energy: -49.284 tors. eta vs tors. theta energy: -60.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -745.945332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.945332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.945332 (E_RNA) where: Base-Base interactions energy: -457.828 where: short stacking energy: -215.239 Base-Backbone interact. energy: -0.826 local terms energy: -287.291416 where: bonds (distance) C4'-P energy: -54.316 bonds (distance) P-C4' energy: -63.284 flat angles C4'-P-C4' energy: -81.100 flat angles P-C4'-P energy: -36.329 tors. eta vs tors. theta energy: -52.262 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: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -677.905100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.905100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.905100 (E_RNA) where: Base-Base interactions energy: -396.485 where: short stacking energy: -199.653 Base-Backbone interact. energy: 1.103 local terms energy: -282.523115 where: bonds (distance) C4'-P energy: -69.974 bonds (distance) P-C4' energy: -58.302 flat angles C4'-P-C4' energy: -58.055 flat angles P-C4'-P energy: -42.135 tors. eta vs tors. theta energy: -54.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -569.857976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.857976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.857976 (E_RNA) where: Base-Base interactions energy: -340.186 where: short stacking energy: -166.809 Base-Backbone interact. energy: -0.698 local terms energy: -228.974499 where: bonds (distance) C4'-P energy: -59.089 bonds (distance) P-C4' energy: -61.709 flat angles C4'-P-C4' energy: -48.361 flat angles P-C4'-P energy: -31.674 tors. eta vs tors. theta energy: -28.142 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: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -492.033936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.033936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.033936 (E_RNA) where: Base-Base interactions energy: -279.950 where: short stacking energy: -127.021 Base-Backbone interact. energy: -0.985 local terms energy: -211.099392 where: bonds (distance) C4'-P energy: -52.031 bonds (distance) P-C4' energy: -67.608 flat angles C4'-P-C4' energy: -53.417 flat angles P-C4'-P energy: -23.366 tors. eta vs tors. theta energy: -14.678 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: 61 Temperature: 1.350000 Total energy: -309.510858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.510858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.510858 (E_RNA) where: Base-Base interactions energy: -104.842 where: short stacking energy: -88.281 Base-Backbone interact. energy: -1.431 local terms energy: -203.237608 where: bonds (distance) C4'-P energy: -38.465 bonds (distance) P-C4' energy: -56.741 flat angles C4'-P-C4' energy: -59.635 flat angles P-C4'-P energy: -36.741 tors. eta vs tors. theta energy: -11.655 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: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1084.668511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.668511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.668511 (E_RNA) where: Base-Base interactions energy: -726.289 where: short stacking energy: -342.553 Base-Backbone interact. energy: -0.481 local terms energy: -357.899345 where: bonds (distance) C4'-P energy: -74.821 bonds (distance) P-C4' energy: -60.922 flat angles C4'-P-C4' energy: -79.520 flat angles P-C4'-P energy: -41.346 tors. eta vs tors. theta energy: -101.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1037.330764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.330764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.330764 (E_RNA) where: Base-Base interactions energy: -700.214 where: short stacking energy: -310.888 Base-Backbone interact. energy: -1.362 local terms energy: -335.755099 where: bonds (distance) C4'-P energy: -69.521 bonds (distance) P-C4' energy: -58.798 flat angles C4'-P-C4' energy: -78.139 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -79.568 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: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -954.525359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.525359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.525359 (E_RNA) where: Base-Base interactions energy: -624.071 where: short stacking energy: -291.368 Base-Backbone interact. energy: -2.625 local terms energy: -327.829470 where: bonds (distance) C4'-P energy: -70.647 bonds (distance) P-C4' energy: -68.096 flat angles C4'-P-C4' energy: -69.660 flat angles P-C4'-P energy: -44.131 tors. eta vs tors. theta energy: -75.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -879.463255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.463255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.463255 (E_RNA) where: Base-Base interactions energy: -550.789 where: short stacking energy: -256.242 Base-Backbone interact. energy: -2.572 local terms energy: -326.101983 where: bonds (distance) C4'-P energy: -67.502 bonds (distance) P-C4' energy: -76.229 flat angles C4'-P-C4' energy: -74.831 flat angles P-C4'-P energy: -39.625 tors. eta vs tors. theta energy: -67.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -747.001774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.001774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.001774 (E_RNA) where: Base-Base interactions energy: -460.386 where: short stacking energy: -222.502 Base-Backbone interact. energy: 0.694 local terms energy: -287.310035 where: bonds (distance) C4'-P energy: -55.894 bonds (distance) P-C4' energy: -65.373 flat angles C4'-P-C4' energy: -72.947 flat angles P-C4'-P energy: -38.375 tors. eta vs tors. theta energy: -54.720 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: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -773.689029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.689029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.689029 (E_RNA) where: Base-Base interactions energy: -491.972 where: short stacking energy: -244.803 Base-Backbone interact. energy: -1.254 local terms energy: -280.462886 where: bonds (distance) C4'-P energy: -53.772 bonds (distance) P-C4' energy: -68.811 flat angles C4'-P-C4' energy: -66.068 flat angles P-C4'-P energy: -34.929 tors. eta vs tors. theta energy: -56.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -709.204536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.204536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.204536 (E_RNA) where: Base-Base interactions energy: -444.891 where: short stacking energy: -220.039 Base-Backbone interact. energy: -1.417 local terms energy: -262.896362 where: bonds (distance) C4'-P energy: -56.910 bonds (distance) P-C4' energy: -48.701 flat angles C4'-P-C4' energy: -62.096 flat angles P-C4'-P energy: -44.505 tors. eta vs tors. theta energy: -50.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -543.538797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.538797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.538797 (E_RNA) where: Base-Base interactions energy: -327.135 where: short stacking energy: -164.221 Base-Backbone interact. energy: 5.058 local terms energy: -221.461217 where: bonds (distance) C4'-P energy: -51.539 bonds (distance) P-C4' energy: -62.670 flat angles C4'-P-C4' energy: -59.265 flat angles P-C4'-P energy: -29.713 tors. eta vs tors. theta energy: -18.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -481.102691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.102691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.102691 (E_RNA) where: Base-Base interactions energy: -261.653 where: short stacking energy: -140.134 Base-Backbone interact. energy: -1.307 local terms energy: -218.142876 where: bonds (distance) C4'-P energy: -57.469 bonds (distance) P-C4' energy: -72.112 flat angles C4'-P-C4' energy: -38.638 flat angles P-C4'-P energy: -34.743 tors. eta vs tors. theta energy: -15.180 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: 62 Temperature: 1.350000 Total energy: -290.114555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.114555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.114555 (E_RNA) where: Base-Base interactions energy: -122.647 where: short stacking energy: -85.542 Base-Backbone interact. energy: 3.672 local terms energy: -171.140481 where: bonds (distance) C4'-P energy: -58.515 bonds (distance) P-C4' energy: -64.120 flat angles C4'-P-C4' energy: -50.555 flat angles P-C4'-P energy: -14.639 tors. eta vs tors. theta energy: 16.690 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: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1078.809297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.809297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.809297 (E_RNA) where: Base-Base interactions energy: -708.257 where: short stacking energy: -349.101 Base-Backbone interact. energy: -0.372 local terms energy: -370.180788 where: bonds (distance) C4'-P energy: -60.410 bonds (distance) P-C4' energy: -73.895 flat angles C4'-P-C4' energy: -79.803 flat angles P-C4'-P energy: -53.155 tors. eta vs tors. theta energy: -102.918 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: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1000.465833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.465833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.465833 (E_RNA) where: Base-Base interactions energy: -668.173 where: short stacking energy: -307.448 Base-Backbone interact. energy: 0.213 local terms energy: -332.506043 where: bonds (distance) C4'-P energy: -70.318 bonds (distance) P-C4' energy: -68.916 flat angles C4'-P-C4' energy: -71.886 flat angles P-C4'-P energy: -39.732 tors. eta vs tors. theta energy: -81.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1004.101322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.101322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.101322 (E_RNA) where: Base-Base interactions energy: -668.811 where: short stacking energy: -309.532 Base-Backbone interact. energy: -1.108 local terms energy: -334.182510 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -63.487 flat angles C4'-P-C4' energy: -76.874 flat angles P-C4'-P energy: -49.408 tors. eta vs tors. theta energy: -87.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -895.552422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.552422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.552422 (E_RNA) where: Base-Base interactions energy: -574.998 where: short stacking energy: -302.771 Base-Backbone interact. energy: 0.824 local terms energy: -321.378196 where: bonds (distance) C4'-P energy: -63.307 bonds (distance) P-C4' energy: -59.013 flat angles C4'-P-C4' energy: -70.636 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -87.079 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: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -813.449200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.449200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.449200 (E_RNA) where: Base-Base interactions energy: -512.524 where: short stacking energy: -247.475 Base-Backbone interact. energy: 1.376 local terms energy: -302.301372 where: bonds (distance) C4'-P energy: -57.551 bonds (distance) P-C4' energy: -74.423 flat angles C4'-P-C4' energy: -67.934 flat angles P-C4'-P energy: -38.231 tors. eta vs tors. theta energy: -64.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -744.069179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.069179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.069179 (E_RNA) where: Base-Base interactions energy: -457.558 where: short stacking energy: -225.113 Base-Backbone interact. energy: -0.678 local terms energy: -285.833982 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -68.598 flat angles C4'-P-C4' energy: -60.006 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: -49.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -727.187867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.187867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.187867 (E_RNA) where: Base-Base interactions energy: -444.314 where: short stacking energy: -215.694 Base-Backbone interact. energy: 0.032 local terms energy: -282.905384 where: bonds (distance) C4'-P energy: -62.015 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -68.430 flat angles P-C4'-P energy: -34.849 tors. eta vs tors. theta energy: -53.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -460.406006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.406006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.406006 (E_RNA) where: Base-Base interactions energy: -249.100 where: short stacking energy: -133.460 Base-Backbone interact. energy: -1.456 local terms energy: -209.849983 where: bonds (distance) C4'-P energy: -61.180 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -50.308 flat angles P-C4'-P energy: -30.800 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -495.409746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.409746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.409746 (E_RNA) where: Base-Base interactions energy: -288.388 where: short stacking energy: -156.504 Base-Backbone interact. energy: -1.356 local terms energy: -205.665676 where: bonds (distance) C4'-P energy: -42.534 bonds (distance) P-C4' energy: -57.558 flat angles C4'-P-C4' energy: -59.520 flat angles P-C4'-P energy: -31.987 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: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -274.168810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.168810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.168810 (E_RNA) where: Base-Base interactions energy: -97.874 where: short stacking energy: -78.949 Base-Backbone interact. energy: -1.493 local terms energy: -174.801511 where: bonds (distance) C4'-P energy: -47.717 bonds (distance) P-C4' energy: -56.112 flat angles C4'-P-C4' energy: -42.158 flat angles P-C4'-P energy: -23.695 tors. eta vs tors. theta energy: -5.119 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: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1073.523572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.523572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.523572 (E_RNA) where: Base-Base interactions energy: -716.244 where: short stacking energy: -337.065 Base-Backbone interact. energy: -0.569 local terms energy: -356.710738 where: bonds (distance) C4'-P energy: -65.879 bonds (distance) P-C4' energy: -72.973 flat angles C4'-P-C4' energy: -76.459 flat angles P-C4'-P energy: -54.398 tors. eta vs tors. theta energy: -87.002 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: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1008.180831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.180831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.180831 (E_RNA) where: Base-Base interactions energy: -682.304 where: short stacking energy: -326.599 Base-Backbone interact. energy: -0.341 local terms energy: -325.535195 where: bonds (distance) C4'-P energy: -61.587 bonds (distance) P-C4' energy: -60.209 flat angles C4'-P-C4' energy: -70.887 flat angles P-C4'-P energy: -41.316 tors. eta vs tors. theta energy: -91.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -998.728448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.728448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.728448 (E_RNA) where: Base-Base interactions energy: -661.755 where: short stacking energy: -288.433 Base-Backbone interact. energy: -1.638 local terms energy: -335.335281 where: bonds (distance) C4'-P energy: -69.474 bonds (distance) P-C4' energy: -68.366 flat angles C4'-P-C4' energy: -73.163 flat angles P-C4'-P energy: -43.526 tors. eta vs tors. theta energy: -80.806 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: 64 Temperature: 1.050000 Total energy: -908.836966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.836966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.836966 (E_RNA) where: Base-Base interactions energy: -600.747 where: short stacking energy: -297.210 Base-Backbone interact. energy: -1.853 local terms energy: -306.237559 where: bonds (distance) C4'-P energy: -55.903 bonds (distance) P-C4' energy: -65.090 flat angles C4'-P-C4' energy: -70.359 flat angles P-C4'-P energy: -35.584 tors. eta vs tors. theta energy: -79.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -780.291219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.291219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.291219 (E_RNA) where: Base-Base interactions energy: -493.160 where: short stacking energy: -233.023 Base-Backbone interact. energy: 0.953 local terms energy: -288.084896 where: bonds (distance) C4'-P energy: -60.275 bonds (distance) P-C4' energy: -69.726 flat angles C4'-P-C4' energy: -60.166 flat angles P-C4'-P energy: -42.813 tors. eta vs tors. theta energy: -55.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -746.705162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.705162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.705162 (E_RNA) where: Base-Base interactions energy: -452.601 where: short stacking energy: -236.785 Base-Backbone interact. energy: 1.849 local terms energy: -295.953025 where: bonds (distance) C4'-P energy: -71.463 bonds (distance) P-C4' energy: -68.620 flat angles C4'-P-C4' energy: -65.112 flat angles P-C4'-P energy: -41.865 tors. eta vs tors. theta energy: -48.892 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: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -766.301888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.301888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.301888 (E_RNA) where: Base-Base interactions energy: -501.730 where: short stacking energy: -233.068 Base-Backbone interact. energy: -0.060 local terms energy: -264.512124 where: bonds (distance) C4'-P energy: -63.249 bonds (distance) P-C4' energy: -56.299 flat angles C4'-P-C4' energy: -56.328 flat angles P-C4'-P energy: -32.120 tors. eta vs tors. theta energy: -56.516 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: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -491.659821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.659821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.659821 (E_RNA) where: Base-Base interactions energy: -267.606 where: short stacking energy: -149.459 Base-Backbone interact. energy: -1.374 local terms energy: -222.679982 where: bonds (distance) C4'-P energy: -61.081 bonds (distance) P-C4' energy: -56.251 flat angles C4'-P-C4' energy: -53.104 flat angles P-C4'-P energy: -33.050 tors. eta vs tors. theta energy: -19.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -385.534978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.534978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.534978 (E_RNA) where: Base-Base interactions energy: -191.681 where: short stacking energy: -128.620 Base-Backbone interact. energy: -0.099 local terms energy: -193.754723 where: bonds (distance) C4'-P energy: -50.568 bonds (distance) P-C4' energy: -54.761 flat angles C4'-P-C4' energy: -54.595 flat angles P-C4'-P energy: -26.052 tors. eta vs tors. theta energy: -7.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -305.941291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.941291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.941291 (E_RNA) where: Base-Base interactions energy: -98.928 where: short stacking energy: -76.134 Base-Backbone interact. energy: 0.879 local terms energy: -207.891874 where: bonds (distance) C4'-P energy: -64.870 bonds (distance) P-C4' energy: -69.552 flat angles C4'-P-C4' energy: -59.578 flat angles P-C4'-P energy: -29.011 tors. eta vs tors. theta energy: 15.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1082.175879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.175879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.175879 (E_RNA) where: Base-Base interactions energy: -720.958 where: short stacking energy: -330.389 Base-Backbone interact. energy: -1.794 local terms energy: -359.424074 where: bonds (distance) C4'-P energy: -72.891 bonds (distance) P-C4' energy: -71.749 flat angles C4'-P-C4' energy: -76.021 flat angles P-C4'-P energy: -45.703 tors. eta vs tors. theta energy: -93.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1012.450648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.450648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.450648 (E_RNA) where: Base-Base interactions energy: -663.581 where: short stacking energy: -290.009 Base-Backbone interact. energy: -0.756 local terms energy: -348.113535 where: bonds (distance) C4'-P energy: -68.766 bonds (distance) P-C4' energy: -69.244 flat angles C4'-P-C4' energy: -72.883 flat angles P-C4'-P energy: -57.616 tors. eta vs tors. theta energy: -79.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -974.945904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.945904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.945904 (E_RNA) where: Base-Base interactions energy: -634.826 where: short stacking energy: -298.203 Base-Backbone interact. energy: 0.826 local terms energy: -340.945758 where: bonds (distance) C4'-P energy: -73.430 bonds (distance) P-C4' energy: -63.116 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -52.886 tors. eta vs tors. theta energy: -86.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -915.227086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.227086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.227086 (E_RNA) where: Base-Base interactions energy: -591.666 where: short stacking energy: -307.121 Base-Backbone interact. energy: -1.178 local terms energy: -322.383252 where: bonds (distance) C4'-P energy: -61.108 bonds (distance) P-C4' energy: -50.475 flat angles C4'-P-C4' energy: -78.307 flat angles P-C4'-P energy: -48.934 tors. eta vs tors. theta energy: -83.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -755.182543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.182543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.182543 (E_RNA) where: Base-Base interactions energy: -485.484 where: short stacking energy: -239.012 Base-Backbone interact. energy: 0.247 local terms energy: -269.945235 where: bonds (distance) C4'-P energy: -64.648 bonds (distance) P-C4' energy: -58.182 flat angles C4'-P-C4' energy: -58.364 flat angles P-C4'-P energy: -33.441 tors. eta vs tors. theta energy: -55.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -778.968530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.968530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.968530 (E_RNA) where: Base-Base interactions energy: -491.345 where: short stacking energy: -252.940 Base-Backbone interact. energy: -0.974 local terms energy: -286.649272 where: bonds (distance) C4'-P energy: -68.257 bonds (distance) P-C4' energy: -69.552 flat angles C4'-P-C4' energy: -66.864 flat angles P-C4'-P energy: -31.036 tors. eta vs tors. theta energy: -50.940 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: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -660.340500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.340500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.340500 (E_RNA) where: Base-Base interactions energy: -402.493 where: short stacking energy: -193.007 Base-Backbone interact. energy: 2.802 local terms energy: -260.649207 where: bonds (distance) C4'-P energy: -57.525 bonds (distance) P-C4' energy: -53.015 flat angles C4'-P-C4' energy: -64.865 flat angles P-C4'-P energy: -42.551 tors. eta vs tors. theta energy: -42.692 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: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -456.959039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.959039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.959039 (E_RNA) where: Base-Base interactions energy: -245.014 where: short stacking energy: -140.718 Base-Backbone interact. energy: 0.290 local terms energy: -212.234898 where: bonds (distance) C4'-P energy: -59.010 bonds (distance) P-C4' energy: -63.804 flat angles C4'-P-C4' energy: -53.465 flat angles P-C4'-P energy: -30.180 tors. eta vs tors. theta energy: -5.776 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: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -441.692094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.692094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.692094 (E_RNA) where: Base-Base interactions energy: -226.471 where: short stacking energy: -136.291 Base-Backbone interact. energy: -1.611 local terms energy: -213.610576 where: bonds (distance) C4'-P energy: -50.940 bonds (distance) P-C4' energy: -57.401 flat angles C4'-P-C4' energy: -59.111 flat angles P-C4'-P energy: -31.143 tors. eta vs tors. theta energy: -15.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -280.161035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.161035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.161035 (E_RNA) where: Base-Base interactions energy: -89.068 where: short stacking energy: -74.913 Base-Backbone interact. energy: 0.768 local terms energy: -191.861279 where: bonds (distance) C4'-P energy: -52.136 bonds (distance) P-C4' energy: -66.739 flat angles C4'-P-C4' energy: -57.561 flat angles P-C4'-P energy: -21.852 tors. eta vs tors. theta energy: 6.426 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: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1073.898431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.898431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.898431 (E_RNA) where: Base-Base interactions energy: -719.707 where: short stacking energy: -345.221 Base-Backbone interact. energy: -0.536 local terms energy: -353.655470 where: bonds (distance) C4'-P energy: -64.082 bonds (distance) P-C4' energy: -72.153 flat angles C4'-P-C4' energy: -71.496 flat angles P-C4'-P energy: -47.237 tors. eta vs tors. theta energy: -98.688 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: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1029.474886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.474886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.474886 (E_RNA) where: Base-Base interactions energy: -702.270 where: short stacking energy: -321.395 Base-Backbone interact. energy: -2.546 local terms energy: -324.658510 where: bonds (distance) C4'-P energy: -56.792 bonds (distance) P-C4' energy: -71.862 flat angles C4'-P-C4' energy: -63.184 flat angles P-C4'-P energy: -51.676 tors. eta vs tors. theta energy: -81.144 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: 66 Temperature: 1.000000 Total energy: -988.340740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.340740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.340740 (E_RNA) where: Base-Base interactions energy: -640.251 where: short stacking energy: -297.793 Base-Backbone interact. energy: 1.039 local terms energy: -349.128439 where: bonds (distance) C4'-P energy: -65.825 bonds (distance) P-C4' energy: -73.341 flat angles C4'-P-C4' energy: -73.175 flat angles P-C4'-P energy: -52.064 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: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -918.664849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.664849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.664849 (E_RNA) where: Base-Base interactions energy: -596.658 where: short stacking energy: -301.414 Base-Backbone interact. energy: -0.851 local terms energy: -321.156158 where: bonds (distance) C4'-P energy: -51.616 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -65.172 flat angles P-C4'-P energy: -47.620 tors. eta vs tors. theta energy: -93.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -871.074154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.074154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.074154 (E_RNA) where: Base-Base interactions energy: -574.572 where: short stacking energy: -257.332 Base-Backbone interact. energy: -0.593 local terms energy: -295.908770 where: bonds (distance) C4'-P energy: -56.108 bonds (distance) P-C4' energy: -61.504 flat angles C4'-P-C4' energy: -67.884 flat angles P-C4'-P energy: -40.422 tors. eta vs tors. theta energy: -69.991 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: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -695.872939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.872939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.872939 (E_RNA) where: Base-Base interactions energy: -434.592 where: short stacking energy: -211.871 Base-Backbone interact. energy: -2.940 local terms energy: -258.340669 where: bonds (distance) C4'-P energy: -64.811 bonds (distance) P-C4' energy: -57.876 flat angles C4'-P-C4' energy: -59.858 flat angles P-C4'-P energy: -41.135 tors. eta vs tors. theta energy: -34.660 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: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -691.498405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.498405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.498405 (E_RNA) where: Base-Base interactions energy: -434.811 where: short stacking energy: -217.897 Base-Backbone interact. energy: -1.623 local terms energy: -255.064203 where: bonds (distance) C4'-P energy: -54.327 bonds (distance) P-C4' energy: -62.512 flat angles C4'-P-C4' energy: -53.566 flat angles P-C4'-P energy: -33.534 tors. eta vs tors. theta energy: -51.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -468.829721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.829721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.829721 (E_RNA) where: Base-Base interactions energy: -254.776 where: short stacking energy: -155.955 Base-Backbone interact. energy: 0.086 local terms energy: -214.139816 where: bonds (distance) C4'-P energy: -64.506 bonds (distance) P-C4' energy: -47.370 flat angles C4'-P-C4' energy: -52.090 flat angles P-C4'-P energy: -35.627 tors. eta vs tors. theta energy: -14.546 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: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -452.287755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.287755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.287755 (E_RNA) where: Base-Base interactions energy: -231.009 where: short stacking energy: -121.885 Base-Backbone interact. energy: -1.900 local terms energy: -219.379300 where: bonds (distance) C4'-P energy: -55.810 bonds (distance) P-C4' energy: -66.299 flat angles C4'-P-C4' energy: -52.975 flat angles P-C4'-P energy: -38.153 tors. eta vs tors. theta energy: -6.142 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: 66 Temperature: 1.350000 Total energy: -293.030184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.030184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.030184 (E_RNA) where: Base-Base interactions energy: -135.090 where: short stacking energy: -91.734 Base-Backbone interact. energy: 0.549 local terms energy: -158.488692 where: bonds (distance) C4'-P energy: -54.663 bonds (distance) P-C4' energy: -57.235 flat angles C4'-P-C4' energy: -45.375 flat angles P-C4'-P energy: -10.530 tors. eta vs tors. theta energy: 9.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1067.629061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.629061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.629061 (E_RNA) where: Base-Base interactions energy: -702.590 where: short stacking energy: -332.534 Base-Backbone interact. energy: -0.623 local terms energy: -364.416149 where: bonds (distance) C4'-P energy: -67.678 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -79.281 flat angles P-C4'-P energy: -54.054 tors. eta vs tors. theta energy: -94.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1048.296556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.296556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.296556 (E_RNA) where: Base-Base interactions energy: -707.179 where: short stacking energy: -316.220 Base-Backbone interact. energy: 0.384 local terms energy: -341.501492 where: bonds (distance) C4'-P energy: -61.164 bonds (distance) P-C4' energy: -66.674 flat angles C4'-P-C4' energy: -64.989 flat angles P-C4'-P energy: -50.132 tors. eta vs tors. theta energy: -98.542 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: 67 Temperature: 1.000000 Total energy: -992.089165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.089165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.089165 (E_RNA) where: Base-Base interactions energy: -646.981 where: short stacking energy: -310.849 Base-Backbone interact. energy: -1.549 local terms energy: -343.559001 where: bonds (distance) C4'-P energy: -62.498 bonds (distance) P-C4' energy: -66.030 flat angles C4'-P-C4' energy: -72.243 flat angles P-C4'-P energy: -48.801 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: 67 Temperature: 1.050000 Total energy: -897.788625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.788625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.788625 (E_RNA) where: Base-Base interactions energy: -594.162 where: short stacking energy: -267.495 Base-Backbone interact. energy: -1.243 local terms energy: -302.384076 where: bonds (distance) C4'-P energy: -55.565 bonds (distance) P-C4' energy: -70.172 flat angles C4'-P-C4' energy: -67.922 flat angles P-C4'-P energy: -36.042 tors. eta vs tors. theta energy: -72.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -885.382689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.382689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.382689 (E_RNA) where: Base-Base interactions energy: -556.173 where: short stacking energy: -284.888 Base-Backbone interact. energy: 0.143 local terms energy: -329.353170 where: bonds (distance) C4'-P energy: -70.355 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -74.730 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: -73.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -727.988272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.988272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.988272 (E_RNA) where: Base-Base interactions energy: -453.149 where: short stacking energy: -223.365 Base-Backbone interact. energy: -3.167 local terms energy: -271.672165 where: bonds (distance) C4'-P energy: -62.222 bonds (distance) P-C4' energy: -63.387 flat angles C4'-P-C4' energy: -62.550 flat angles P-C4'-P energy: -34.850 tors. eta vs tors. theta energy: -48.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -722.318734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.318734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.318734 (E_RNA) where: Base-Base interactions energy: -467.181 where: short stacking energy: -193.597 Base-Backbone interact. energy: 3.159 local terms energy: -258.296662 where: bonds (distance) C4'-P energy: -52.471 bonds (distance) P-C4' energy: -74.613 flat angles C4'-P-C4' energy: -42.715 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -45.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -452.034597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.034597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.034597 (E_RNA) where: Base-Base interactions energy: -240.197 where: short stacking energy: -137.919 Base-Backbone interact. energy: -0.469 local terms energy: -211.367976 where: bonds (distance) C4'-P energy: -64.189 bonds (distance) P-C4' energy: -51.662 flat angles C4'-P-C4' energy: -58.457 flat angles P-C4'-P energy: -21.710 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: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -448.506902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.506902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.506902 (E_RNA) where: Base-Base interactions energy: -245.817 where: short stacking energy: -146.900 Base-Backbone interact. energy: 0.424 local terms energy: -203.113771 where: bonds (distance) C4'-P energy: -39.974 bonds (distance) P-C4' energy: -62.854 flat angles C4'-P-C4' energy: -45.214 flat angles P-C4'-P energy: -25.299 tors. eta vs tors. theta energy: -29.773 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: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -303.324314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.324314 (E_RNA) where: Base-Base interactions energy: -106.616 where: short stacking energy: -87.415 Base-Backbone interact. energy: 0.237 local terms energy: -196.945881 where: bonds (distance) C4'-P energy: -45.159 bonds (distance) P-C4' energy: -62.372 flat angles C4'-P-C4' energy: -49.770 flat angles P-C4'-P energy: -44.105 tors. eta vs tors. theta energy: 4.461 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: 68 Temperature: 0.900000 Total energy: -1080.711837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.711837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.711837 (E_RNA) where: Base-Base interactions energy: -734.867 where: short stacking energy: -325.562 Base-Backbone interact. energy: -3.728 local terms energy: -342.117125 where: bonds (distance) C4'-P energy: -67.348 bonds (distance) P-C4' energy: -75.546 flat angles C4'-P-C4' energy: -72.137 flat angles P-C4'-P energy: -47.939 tors. eta vs tors. theta energy: -79.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1044.571050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.571050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.571050 (E_RNA) where: Base-Base interactions energy: -704.044 where: short stacking energy: -335.200 Base-Backbone interact. energy: -0.610 local terms energy: -339.917347 where: bonds (distance) C4'-P energy: -58.859 bonds (distance) P-C4' energy: -65.872 flat angles C4'-P-C4' energy: -67.435 flat angles P-C4'-P energy: -53.090 tors. eta vs tors. theta energy: -94.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -978.352762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.352762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.352762 (E_RNA) where: Base-Base interactions energy: -633.127 where: short stacking energy: -302.447 Base-Backbone interact. energy: -1.546 local terms energy: -343.680013 where: bonds (distance) C4'-P energy: -69.662 bonds (distance) P-C4' energy: -66.849 flat angles C4'-P-C4' energy: -76.813 flat angles P-C4'-P energy: -44.472 tors. eta vs tors. theta energy: -85.884 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: 68 Temperature: 1.050000 Total energy: -893.773839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.773839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.773839 (E_RNA) where: Base-Base interactions energy: -570.380 where: short stacking energy: -277.845 Base-Backbone interact. energy: 1.309 local terms energy: -324.702375 where: bonds (distance) C4'-P energy: -67.117 bonds (distance) P-C4' energy: -72.609 flat angles C4'-P-C4' energy: -66.472 flat angles P-C4'-P energy: -49.907 tors. eta vs tors. theta energy: -68.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -886.580789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.580789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.580789 (E_RNA) where: Base-Base interactions energy: -566.619 where: short stacking energy: -296.610 Base-Backbone interact. energy: -0.676 local terms energy: -319.285280 where: bonds (distance) C4'-P energy: -57.813 bonds (distance) P-C4' energy: -71.769 flat angles C4'-P-C4' energy: -71.371 flat angles P-C4'-P energy: -36.537 tors. eta vs tors. theta energy: -81.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -700.518866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.518866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.518866 (E_RNA) where: Base-Base interactions energy: -430.423 where: short stacking energy: -244.234 Base-Backbone interact. energy: 0.267 local terms energy: -270.363418 where: bonds (distance) C4'-P energy: -63.357 bonds (distance) P-C4' energy: -61.992 flat angles C4'-P-C4' energy: -54.330 flat angles P-C4'-P energy: -43.188 tors. eta vs tors. theta energy: -47.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -749.715771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.715771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.715771 (E_RNA) where: Base-Base interactions energy: -481.489 where: short stacking energy: -200.437 Base-Backbone interact. energy: 2.729 local terms energy: -270.955928 where: bonds (distance) C4'-P energy: -60.885 bonds (distance) P-C4' energy: -64.196 flat angles C4'-P-C4' energy: -65.186 flat angles P-C4'-P energy: -37.654 tors. eta vs tors. theta energy: -43.034 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: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -434.227176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.227176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.227176 (E_RNA) where: Base-Base interactions energy: -230.201 where: short stacking energy: -146.302 Base-Backbone interact. energy: -0.740 local terms energy: -203.286041 where: bonds (distance) C4'-P energy: -64.091 bonds (distance) P-C4' energy: -51.251 flat angles C4'-P-C4' energy: -53.257 flat angles P-C4'-P energy: -30.390 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -448.566053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.566053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.566053 (E_RNA) where: Base-Base interactions energy: -212.919 where: short stacking energy: -108.554 Base-Backbone interact. energy: 2.852 local terms energy: -238.499590 where: bonds (distance) C4'-P energy: -66.555 bonds (distance) P-C4' energy: -64.555 flat angles C4'-P-C4' energy: -58.922 flat angles P-C4'-P energy: -41.502 tors. eta vs tors. theta energy: -6.967 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: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -289.337000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.337000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.337000 (E_RNA) where: Base-Base interactions energy: -109.701 where: short stacking energy: -96.881 Base-Backbone interact. energy: 0.902 local terms energy: -180.538048 where: bonds (distance) C4'-P energy: -56.272 bonds (distance) P-C4' energy: -65.478 flat angles C4'-P-C4' energy: -35.403 flat angles P-C4'-P energy: -32.773 tors. eta vs tors. theta energy: 9.387 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: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1105.538167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.538167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.538167 (E_RNA) where: Base-Base interactions energy: -732.246 where: short stacking energy: -348.702 Base-Backbone interact. energy: -2.341 local terms energy: -370.951921 where: bonds (distance) C4'-P energy: -76.106 bonds (distance) P-C4' energy: -63.165 flat angles C4'-P-C4' energy: -78.351 flat angles P-C4'-P energy: -59.721 tors. eta vs tors. theta energy: -93.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1024.236061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.236061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.236061 (E_RNA) where: Base-Base interactions energy: -670.294 where: short stacking energy: -307.143 Base-Backbone interact. energy: -2.296 local terms energy: -351.645729 where: bonds (distance) C4'-P energy: -68.441 bonds (distance) P-C4' energy: -65.952 flat angles C4'-P-C4' energy: -74.524 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: -88.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -945.136919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.136919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.136919 (E_RNA) where: Base-Base interactions energy: -605.328 where: short stacking energy: -291.898 Base-Backbone interact. energy: -1.780 local terms energy: -338.028774 where: bonds (distance) C4'-P energy: -64.123 bonds (distance) P-C4' energy: -68.273 flat angles C4'-P-C4' energy: -73.656 flat angles P-C4'-P energy: -44.668 tors. eta vs tors. theta energy: -87.309 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: 69 Temperature: 1.050000 Total energy: -896.992607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.992607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.992607 (E_RNA) where: Base-Base interactions energy: -554.711 where: short stacking energy: -275.114 Base-Backbone interact. energy: 1.377 local terms energy: -343.658946 where: bonds (distance) C4'-P energy: -61.085 bonds (distance) P-C4' energy: -74.075 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -48.200 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: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -873.605680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.605680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.605680 (E_RNA) where: Base-Base interactions energy: -587.024 where: short stacking energy: -271.595 Base-Backbone interact. energy: -0.918 local terms energy: -285.664013 where: bonds (distance) C4'-P energy: -50.083 bonds (distance) P-C4' energy: -63.699 flat angles C4'-P-C4' energy: -67.852 flat angles P-C4'-P energy: -39.037 tors. eta vs tors. theta energy: -64.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -739.712579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.712579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.712579 (E_RNA) where: Base-Base interactions energy: -466.845 where: short stacking energy: -203.371 Base-Backbone interact. energy: 3.136 local terms energy: -276.004202 where: bonds (distance) C4'-P energy: -66.041 bonds (distance) P-C4' energy: -68.004 flat angles C4'-P-C4' energy: -55.873 flat angles P-C4'-P energy: -41.447 tors. eta vs tors. theta energy: -44.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -649.340591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.340591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.340591 (E_RNA) where: Base-Base interactions energy: -396.895 where: short stacking energy: -202.354 Base-Backbone interact. energy: 0.122 local terms energy: -252.568081 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -47.379 flat angles C4'-P-C4' energy: -66.857 flat angles P-C4'-P energy: -40.870 tors. eta vs tors. theta energy: -44.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -467.064891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.064891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.064891 (E_RNA) where: Base-Base interactions energy: -235.430 where: short stacking energy: -151.781 Base-Backbone interact. energy: 2.498 local terms energy: -234.133111 where: bonds (distance) C4'-P energy: -63.180 bonds (distance) P-C4' energy: -61.332 flat angles C4'-P-C4' energy: -63.687 flat angles P-C4'-P energy: -22.796 tors. eta vs tors. theta energy: -23.139 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: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -396.543544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.543544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.543544 (E_RNA) where: Base-Base interactions energy: -189.481 where: short stacking energy: -109.647 Base-Backbone interact. energy: -0.727 local terms energy: -206.335889 where: bonds (distance) C4'-P energy: -61.928 bonds (distance) P-C4' energy: -53.825 flat angles C4'-P-C4' energy: -54.108 flat angles P-C4'-P energy: -28.748 tors. eta vs tors. theta energy: -7.727 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: 69 Temperature: 1.350000 Total energy: -267.901011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.901011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.901011 (E_RNA) where: Base-Base interactions energy: -92.159 where: short stacking energy: -66.562 Base-Backbone interact. energy: -2.825 local terms energy: -172.917606 where: bonds (distance) C4'-P energy: -50.696 bonds (distance) P-C4' energy: -58.997 flat angles C4'-P-C4' energy: -42.311 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: 17.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1093.881586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.881586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.881586 (E_RNA) where: Base-Base interactions energy: -733.553 where: short stacking energy: -334.099 Base-Backbone interact. energy: -3.468 local terms energy: -356.860484 where: bonds (distance) C4'-P energy: -66.842 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -75.662 flat angles P-C4'-P energy: -59.453 tors. eta vs tors. theta energy: -83.966 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: 2, replica: 9 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1014.463732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.463732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.463732 (E_RNA) where: Base-Base interactions energy: -678.714 where: short stacking energy: -315.934 Base-Backbone interact. energy: 0.023 local terms energy: -335.772742 where: bonds (distance) C4'-P energy: -73.504 bonds (distance) P-C4' energy: -66.940 flat angles C4'-P-C4' energy: -69.395 flat angles P-C4'-P energy: -38.473 tors. eta vs tors. theta energy: -87.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -972.658433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.658433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.658433 (E_RNA) where: Base-Base interactions energy: -645.503 where: short stacking energy: -318.799 Base-Backbone interact. energy: -2.105 local terms energy: -325.050591 where: bonds (distance) C4'-P energy: -58.983 bonds (distance) P-C4' energy: -70.199 flat angles C4'-P-C4' energy: -71.083 flat angles P-C4'-P energy: -41.005 tors. eta vs tors. theta energy: -83.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -850.623321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.623321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.623321 (E_RNA) where: Base-Base interactions energy: -531.006 where: short stacking energy: -282.250 Base-Backbone interact. energy: -0.970 local terms energy: -318.646952 where: bonds (distance) C4'-P energy: -67.212 bonds (distance) P-C4' energy: -68.960 flat angles C4'-P-C4' energy: -61.632 flat angles P-C4'-P energy: -43.511 tors. eta vs tors. theta energy: -77.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -891.997082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.997082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.997082 (E_RNA) where: Base-Base interactions energy: -570.775 where: short stacking energy: -282.556 Base-Backbone interact. energy: -1.257 local terms energy: -319.965088 where: bonds (distance) C4'-P energy: -67.064 bonds (distance) P-C4' energy: -61.454 flat angles C4'-P-C4' energy: -70.063 flat angles P-C4'-P energy: -46.944 tors. eta vs tors. theta energy: -74.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -779.153257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.153257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.153257 (E_RNA) where: Base-Base interactions energy: -496.670 where: short stacking energy: -233.843 Base-Backbone interact. energy: -1.478 local terms energy: -281.005144 where: bonds (distance) C4'-P energy: -64.807 bonds (distance) P-C4' energy: -64.469 flat angles C4'-P-C4' energy: -59.608 flat angles P-C4'-P energy: -36.823 tors. eta vs tors. theta energy: -55.298 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: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -645.273763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.273763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.273763 (E_RNA) where: Base-Base interactions energy: -389.003 where: short stacking energy: -195.441 Base-Backbone interact. energy: 0.029 local terms energy: -256.300211 where: bonds (distance) C4'-P energy: -48.851 bonds (distance) P-C4' energy: -68.691 flat angles C4'-P-C4' energy: -60.198 flat angles P-C4'-P energy: -35.348 tors. eta vs tors. theta energy: -43.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -477.458834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.458834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.458834 (E_RNA) where: Base-Base interactions energy: -254.365 where: short stacking energy: -150.743 Base-Backbone interact. energy: -1.135 local terms energy: -221.959201 where: bonds (distance) C4'-P energy: -55.181 bonds (distance) P-C4' energy: -52.321 flat angles C4'-P-C4' energy: -58.324 flat angles P-C4'-P energy: -38.566 tors. eta vs tors. theta energy: -17.568 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: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -436.390838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.390838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.390838 (E_RNA) where: Base-Base interactions energy: -211.355 where: short stacking energy: -118.775 Base-Backbone interact. energy: -1.862 local terms energy: -223.174077 where: bonds (distance) C4'-P energy: -56.198 bonds (distance) P-C4' energy: -63.207 flat angles C4'-P-C4' energy: -55.741 flat angles P-C4'-P energy: -38.788 tors. eta vs tors. theta energy: -9.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -306.901367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.901367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.901367 (E_RNA) where: Base-Base interactions energy: -106.027 where: short stacking energy: -88.051 Base-Backbone interact. energy: 1.263 local terms energy: -202.137899 where: bonds (distance) C4'-P energy: -56.537 bonds (distance) P-C4' energy: -62.587 flat angles C4'-P-C4' energy: -53.695 flat angles P-C4'-P energy: -30.520 tors. eta vs tors. theta energy: 1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1055.523826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.523826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.523826 (E_RNA) where: Base-Base interactions energy: -686.766 where: short stacking energy: -308.253 Base-Backbone interact. energy: -2.647 local terms energy: -366.111184 where: bonds (distance) C4'-P energy: -73.822 bonds (distance) P-C4' energy: -75.044 flat angles C4'-P-C4' energy: -72.038 flat angles P-C4'-P energy: -53.273 tors. eta vs tors. theta energy: -91.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1002.550372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.550372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.550372 (E_RNA) where: Base-Base interactions energy: -663.417 where: short stacking energy: -295.559 Base-Backbone interact. energy: -1.351 local terms energy: -337.782508 where: bonds (distance) C4'-P energy: -77.690 bonds (distance) P-C4' energy: -67.754 flat angles C4'-P-C4' energy: -68.285 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -77.902 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: 3, replica: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -986.034434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.034434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.034434 (E_RNA) where: Base-Base interactions energy: -653.464 where: short stacking energy: -309.882 Base-Backbone interact. energy: -1.213 local terms energy: -331.357097 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -63.608 flat angles C4'-P-C4' energy: -64.557 flat angles P-C4'-P energy: -52.715 tors. eta vs tors. theta energy: -85.749 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: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -956.042873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.042873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.042873 (E_RNA) where: Base-Base interactions energy: -643.615 where: short stacking energy: -296.689 Base-Backbone interact. energy: 3.177 local terms energy: -315.604774 where: bonds (distance) C4'-P energy: -64.065 bonds (distance) P-C4' energy: -56.592 flat angles C4'-P-C4' energy: -76.338 flat angles P-C4'-P energy: -43.056 tors. eta vs tors. theta energy: -75.554 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: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -844.159812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.159812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.159812 (E_RNA) where: Base-Base interactions energy: -508.965 where: short stacking energy: -276.150 Base-Backbone interact. energy: -0.348 local terms energy: -334.847526 where: bonds (distance) C4'-P energy: -63.616 bonds (distance) P-C4' energy: -74.266 flat angles C4'-P-C4' energy: -76.527 flat angles P-C4'-P energy: -43.657 tors. eta vs tors. theta energy: -76.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -783.846921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.846921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.846921 (E_RNA) where: Base-Base interactions energy: -498.579 where: short stacking energy: -238.804 Base-Backbone interact. energy: -1.612 local terms energy: -283.656654 where: bonds (distance) C4'-P energy: -66.376 bonds (distance) P-C4' energy: -58.023 flat angles C4'-P-C4' energy: -67.131 flat angles P-C4'-P energy: -33.873 tors. eta vs tors. theta energy: -58.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -629.663451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.663451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.663451 (E_RNA) where: Base-Base interactions energy: -390.967 where: short stacking energy: -211.691 Base-Backbone interact. energy: -0.452 local terms energy: -238.244290 where: bonds (distance) C4'-P energy: -44.100 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -54.372 flat angles P-C4'-P energy: -36.420 tors. eta vs tors. theta energy: -38.045 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: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -483.846714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.846714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.846714 (E_RNA) where: Base-Base interactions energy: -266.507 where: short stacking energy: -136.622 Base-Backbone interact. energy: 1.828 local terms energy: -219.167863 where: bonds (distance) C4'-P energy: -56.573 bonds (distance) P-C4' energy: -67.590 flat angles C4'-P-C4' energy: -51.693 flat angles P-C4'-P energy: -24.909 tors. eta vs tors. theta energy: -18.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -461.701045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.701045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.701045 (E_RNA) where: Base-Base interactions energy: -233.678 where: short stacking energy: -137.668 Base-Backbone interact. energy: -0.863 local terms energy: -227.160272 where: bonds (distance) C4'-P energy: -56.417 bonds (distance) P-C4' energy: -69.793 flat angles C4'-P-C4' energy: -50.720 flat angles P-C4'-P energy: -36.870 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -289.962007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.962007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.962007 (E_RNA) where: Base-Base interactions energy: -104.862 where: short stacking energy: -102.083 Base-Backbone interact. energy: -0.718 local terms energy: -184.381794 where: bonds (distance) C4'-P energy: -50.308 bonds (distance) P-C4' energy: -61.381 flat angles C4'-P-C4' energy: -48.567 flat angles P-C4'-P energy: -25.966 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: 72 Temperature: 0.900000 Total energy: -1094.364270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.364270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.364270 (E_RNA) where: Base-Base interactions energy: -727.591 where: short stacking energy: -336.605 Base-Backbone interact. energy: -2.799 local terms energy: -363.975059 where: bonds (distance) C4'-P energy: -66.729 bonds (distance) P-C4' energy: -71.749 flat angles C4'-P-C4' energy: -74.743 flat angles P-C4'-P energy: -56.774 tors. eta vs tors. theta energy: -93.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1034.197577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.197577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.197577 (E_RNA) where: Base-Base interactions energy: -680.970 where: short stacking energy: -331.796 Base-Backbone interact. energy: -0.340 local terms energy: -352.887245 where: bonds (distance) C4'-P energy: -71.129 bonds (distance) P-C4' energy: -74.167 flat angles C4'-P-C4' energy: -68.518 flat angles P-C4'-P energy: -47.434 tors. eta vs tors. theta energy: -91.639 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: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -962.139096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.139096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.139096 (E_RNA) where: Base-Base interactions energy: -641.961 where: short stacking energy: -288.881 Base-Backbone interact. energy: -1.749 local terms energy: -318.429177 where: bonds (distance) C4'-P energy: -64.692 bonds (distance) P-C4' energy: -51.821 flat angles C4'-P-C4' energy: -72.052 flat angles P-C4'-P energy: -52.471 tors. eta vs tors. theta energy: -77.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -979.550945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.550945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.550945 (E_RNA) where: Base-Base interactions energy: -633.150 where: short stacking energy: -316.322 Base-Backbone interact. energy: -1.251 local terms energy: -345.149617 where: bonds (distance) C4'-P energy: -61.849 bonds (distance) P-C4' energy: -54.233 flat angles C4'-P-C4' energy: -78.623 flat angles P-C4'-P energy: -50.293 tors. eta vs tors. theta energy: -100.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -802.551423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.551423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.551423 (E_RNA) where: Base-Base interactions energy: -500.626 where: short stacking energy: -260.209 Base-Backbone interact. energy: 0.324 local terms energy: -302.249508 where: bonds (distance) C4'-P energy: -67.550 bonds (distance) P-C4' energy: -59.021 flat angles C4'-P-C4' energy: -61.605 flat angles P-C4'-P energy: -31.257 tors. eta vs tors. theta energy: -82.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -769.598389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.598389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.598389 (E_RNA) where: Base-Base interactions energy: -503.392 where: short stacking energy: -250.690 Base-Backbone interact. energy: -0.582 local terms energy: -265.623755 where: bonds (distance) C4'-P energy: -44.984 bonds (distance) P-C4' energy: -57.179 flat angles C4'-P-C4' energy: -72.894 flat angles P-C4'-P energy: -28.415 tors. eta vs tors. theta energy: -62.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -607.851823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.851823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.851823 (E_RNA) where: Base-Base interactions energy: -365.278 where: short stacking energy: -186.808 Base-Backbone interact. energy: 0.390 local terms energy: -242.964262 where: bonds (distance) C4'-P energy: -52.553 bonds (distance) P-C4' energy: -49.381 flat angles C4'-P-C4' energy: -63.306 flat angles P-C4'-P energy: -34.325 tors. eta vs tors. theta energy: -43.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -546.315483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.315483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.315483 (E_RNA) where: Base-Base interactions energy: -309.541 where: short stacking energy: -175.803 Base-Backbone interact. energy: 2.387 local terms energy: -239.161716 where: bonds (distance) C4'-P energy: -48.487 bonds (distance) P-C4' energy: -64.109 flat angles C4'-P-C4' energy: -53.830 flat angles P-C4'-P energy: -29.168 tors. eta vs tors. theta energy: -43.568 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: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -457.123113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.123113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.123113 (E_RNA) where: Base-Base interactions energy: -227.064 where: short stacking energy: -126.523 Base-Backbone interact. energy: 7.758 local terms energy: -237.817558 where: bonds (distance) C4'-P energy: -65.209 bonds (distance) P-C4' energy: -63.544 flat angles C4'-P-C4' energy: -57.510 flat angles P-C4'-P energy: -47.307 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: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -306.637869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.637869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.637869 (E_RNA) where: Base-Base interactions energy: -107.516 where: short stacking energy: -93.120 Base-Backbone interact. energy: 3.194 local terms energy: -202.316713 where: bonds (distance) C4'-P energy: -65.073 bonds (distance) P-C4' energy: -46.193 flat angles C4'-P-C4' energy: -56.453 flat angles P-C4'-P energy: -29.498 tors. eta vs tors. theta energy: -5.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1084.570856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.570856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.570856 (E_RNA) where: Base-Base interactions energy: -725.908 where: short stacking energy: -343.528 Base-Backbone interact. energy: -2.303 local terms energy: -356.359085 where: bonds (distance) C4'-P energy: -66.921 bonds (distance) P-C4' energy: -70.838 flat angles C4'-P-C4' energy: -83.565 flat angles P-C4'-P energy: -40.105 tors. eta vs tors. theta energy: -94.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1048.785126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.785126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.785126 (E_RNA) where: Base-Base interactions energy: -682.892 where: short stacking energy: -315.637 Base-Backbone interact. energy: -1.223 local terms energy: -364.670087 where: bonds (distance) C4'-P energy: -73.647 bonds (distance) P-C4' energy: -67.140 flat angles C4'-P-C4' energy: -80.161 flat angles P-C4'-P energy: -54.576 tors. eta vs tors. theta energy: -89.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -975.639428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.639428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.639428 (E_RNA) where: Base-Base interactions energy: -650.749 where: short stacking energy: -310.271 Base-Backbone interact. energy: -2.548 local terms energy: -322.341679 where: bonds (distance) C4'-P energy: -55.403 bonds (distance) P-C4' energy: -65.287 flat angles C4'-P-C4' energy: -61.741 flat angles P-C4'-P energy: -50.753 tors. eta vs tors. theta energy: -89.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -914.433999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.433999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.433999 (E_RNA) where: Base-Base interactions energy: -582.662 where: short stacking energy: -279.983 Base-Backbone interact. energy: 0.781 local terms energy: -332.552246 where: bonds (distance) C4'-P energy: -65.335 bonds (distance) P-C4' energy: -68.218 flat angles C4'-P-C4' energy: -71.626 flat angles P-C4'-P energy: -46.398 tors. eta vs tors. theta energy: -80.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -822.829708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.829708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.829708 (E_RNA) where: Base-Base interactions energy: -515.892 where: short stacking energy: -270.972 Base-Backbone interact. energy: -0.833 local terms energy: -306.104725 where: bonds (distance) C4'-P energy: -52.041 bonds (distance) P-C4' energy: -65.448 flat angles C4'-P-C4' energy: -72.130 flat angles P-C4'-P energy: -41.126 tors. eta vs tors. theta energy: -75.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -796.306679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.306679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.306679 (E_RNA) where: Base-Base interactions energy: -528.670 where: short stacking energy: -250.364 Base-Backbone interact. energy: -0.886 local terms energy: -266.751059 where: bonds (distance) C4'-P energy: -60.851 bonds (distance) P-C4' energy: -59.425 flat angles C4'-P-C4' energy: -59.936 flat angles P-C4'-P energy: -36.874 tors. eta vs tors. theta energy: -49.665 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: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -624.397522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.397522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.397522 (E_RNA) where: Base-Base interactions energy: -378.779 where: short stacking energy: -183.366 Base-Backbone interact. energy: 3.208 local terms energy: -248.827082 where: bonds (distance) C4'-P energy: -58.552 bonds (distance) P-C4' energy: -62.948 flat angles C4'-P-C4' energy: -60.453 flat angles P-C4'-P energy: -30.511 tors. eta vs tors. theta energy: -36.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -538.734354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.734354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.734354 (E_RNA) where: Base-Base interactions energy: -289.029 where: short stacking energy: -165.413 Base-Backbone interact. energy: -0.837 local terms energy: -248.868256 where: bonds (distance) C4'-P energy: -56.810 bonds (distance) P-C4' energy: -58.162 flat angles C4'-P-C4' energy: -57.117 flat angles P-C4'-P energy: -40.551 tors. eta vs tors. theta energy: -36.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -467.781613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.781613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.781613 (E_RNA) where: Base-Base interactions energy: -244.400 where: short stacking energy: -147.121 Base-Backbone interact. energy: 0.422 local terms energy: -223.802740 where: bonds (distance) C4'-P energy: -49.433 bonds (distance) P-C4' energy: -61.408 flat angles C4'-P-C4' energy: -50.811 flat angles P-C4'-P energy: -41.350 tors. eta vs tors. theta energy: -20.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -314.540426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.540426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.540426 (E_RNA) where: Base-Base interactions energy: -108.168 where: short stacking energy: -97.982 Base-Backbone interact. energy: 0.875 local terms energy: -207.248003 where: bonds (distance) C4'-P energy: -59.394 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -58.067 flat angles P-C4'-P energy: -25.666 tors. eta vs tors. theta energy: -1.361 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: 1, replica: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1076.749511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.749511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.749511 (E_RNA) where: Base-Base interactions energy: -715.527 where: short stacking energy: -319.960 Base-Backbone interact. energy: -2.945 local terms energy: -358.277526 where: bonds (distance) C4'-P energy: -68.353 bonds (distance) P-C4' energy: -63.075 flat angles C4'-P-C4' energy: -84.498 flat angles P-C4'-P energy: -53.957 tors. eta vs tors. theta energy: -88.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1041.754969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.754969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.754969 (E_RNA) where: Base-Base interactions energy: -693.945 where: short stacking energy: -323.819 Base-Backbone interact. energy: -0.730 local terms energy: -347.079513 where: bonds (distance) C4'-P energy: -64.993 bonds (distance) P-C4' energy: -71.769 flat angles C4'-P-C4' energy: -74.749 flat angles P-C4'-P energy: -46.511 tors. eta vs tors. theta energy: -89.057 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: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -984.916889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.916889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.916889 (E_RNA) where: Base-Base interactions energy: -635.985 where: short stacking energy: -303.607 Base-Backbone interact. energy: -1.273 local terms energy: -347.658706 where: bonds (distance) C4'-P energy: -66.314 bonds (distance) P-C4' energy: -75.050 flat angles C4'-P-C4' energy: -75.808 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: -83.182 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: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -943.051440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.051440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.051440 (E_RNA) where: Base-Base interactions energy: -593.740 where: short stacking energy: -289.487 Base-Backbone interact. energy: 0.371 local terms energy: -349.682940 where: bonds (distance) C4'-P energy: -66.144 bonds (distance) P-C4' energy: -66.690 flat angles C4'-P-C4' energy: -67.812 flat angles P-C4'-P energy: -57.196 tors. eta vs tors. theta energy: -91.842 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: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -813.852648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.852648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.852648 (E_RNA) where: Base-Base interactions energy: -511.730 where: short stacking energy: -249.937 Base-Backbone interact. energy: -0.095 local terms energy: -302.026781 where: bonds (distance) C4'-P energy: -64.707 bonds (distance) P-C4' energy: -65.791 flat angles C4'-P-C4' energy: -61.985 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: -65.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -777.842596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.842596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.842596 (E_RNA) where: Base-Base interactions energy: -518.190 where: short stacking energy: -234.951 Base-Backbone interact. energy: 3.483 local terms energy: -263.135651 where: bonds (distance) C4'-P energy: -38.107 bonds (distance) P-C4' energy: -65.701 flat angles C4'-P-C4' energy: -67.567 flat angles P-C4'-P energy: -40.308 tors. eta vs tors. theta energy: -51.453 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: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -632.251167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.251167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.251167 (E_RNA) where: Base-Base interactions energy: -375.123 where: short stacking energy: -186.119 Base-Backbone interact. energy: 1.275 local terms energy: -258.403011 where: bonds (distance) C4'-P energy: -64.529 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -68.405 flat angles P-C4'-P energy: -24.161 tors. eta vs tors. theta energy: -38.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -528.110626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.110626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.110626 (E_RNA) where: Base-Base interactions energy: -298.962 where: short stacking energy: -151.759 Base-Backbone interact. energy: -0.037 local terms energy: -229.111187 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -51.123 flat angles P-C4'-P energy: -33.375 tors. eta vs tors. theta energy: -27.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -517.767525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.767525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.767525 (E_RNA) where: Base-Base interactions energy: -279.724 where: short stacking energy: -159.050 Base-Backbone interact. energy: -1.225 local terms energy: -236.818104 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -56.621 flat angles C4'-P-C4' energy: -58.962 flat angles P-C4'-P energy: -32.593 tors. eta vs tors. theta energy: -31.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -319.558220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.558220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.558220 (E_RNA) where: Base-Base interactions energy: -122.168 where: short stacking energy: -106.267 Base-Backbone interact. energy: -0.474 local terms energy: -196.915781 where: bonds (distance) C4'-P energy: -56.008 bonds (distance) P-C4' energy: -60.517 flat angles C4'-P-C4' energy: -47.866 flat angles P-C4'-P energy: -36.133 tors. eta vs tors. theta energy: 3.608 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: 75 Temperature: 0.900000 Total energy: -1083.373973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.373973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.373973 (E_RNA) where: Base-Base interactions energy: -716.516 where: short stacking energy: -332.763 Base-Backbone interact. energy: -3.218 local terms energy: -363.640572 where: bonds (distance) C4'-P energy: -74.175 bonds (distance) P-C4' energy: -66.178 flat angles C4'-P-C4' energy: -77.689 flat angles P-C4'-P energy: -49.991 tors. eta vs tors. theta energy: -95.607 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: 9 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1040.296713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.296713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.296713 (E_RNA) where: Base-Base interactions energy: -712.076 where: short stacking energy: -341.125 Base-Backbone interact. energy: -0.772 local terms energy: -327.447894 where: bonds (distance) C4'-P energy: -60.586 bonds (distance) P-C4' energy: -56.696 flat angles C4'-P-C4' energy: -72.186 flat angles P-C4'-P energy: -41.338 tors. eta vs tors. theta energy: -96.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -983.223762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.223762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.223762 (E_RNA) where: Base-Base interactions energy: -649.903 where: short stacking energy: -292.655 Base-Backbone interact. energy: -1.535 local terms energy: -331.786049 where: bonds (distance) C4'-P energy: -66.138 bonds (distance) P-C4' energy: -60.915 flat angles C4'-P-C4' energy: -77.036 flat angles P-C4'-P energy: -48.150 tors. eta vs tors. theta energy: -79.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -936.979271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.979271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.979271 (E_RNA) where: Base-Base interactions energy: -605.225 where: short stacking energy: -306.691 Base-Backbone interact. energy: 3.238 local terms energy: -334.992600 where: bonds (distance) C4'-P energy: -61.655 bonds (distance) P-C4' energy: -66.718 flat angles C4'-P-C4' energy: -83.256 flat angles P-C4'-P energy: -39.547 tors. eta vs tors. theta energy: -83.816 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: 75 Temperature: 1.100000 Total energy: -766.727483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.727483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.727483 (E_RNA) where: Base-Base interactions energy: -460.283 where: short stacking energy: -236.582 Base-Backbone interact. energy: 1.288 local terms energy: -307.732720 where: bonds (distance) C4'-P energy: -70.203 bonds (distance) P-C4' energy: -72.471 flat angles C4'-P-C4' energy: -61.619 flat angles P-C4'-P energy: -38.958 tors. eta vs tors. theta energy: -64.482 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: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -781.077995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.077995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.077995 (E_RNA) where: Base-Base interactions energy: -492.557 where: short stacking energy: -229.874 Base-Backbone interact. energy: -0.395 local terms energy: -288.126031 where: bonds (distance) C4'-P energy: -58.736 bonds (distance) P-C4' energy: -59.859 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -43.644 tors. eta vs tors. theta energy: -55.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -604.949277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.949277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.949277 (E_RNA) where: Base-Base interactions energy: -353.981 where: short stacking energy: -170.915 Base-Backbone interact. energy: -1.388 local terms energy: -249.581049 where: bonds (distance) C4'-P energy: -64.703 bonds (distance) P-C4' energy: -64.846 flat angles C4'-P-C4' energy: -51.545 flat angles P-C4'-P energy: -35.827 tors. eta vs tors. theta energy: -32.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -564.046877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.046877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.046877 (E_RNA) where: Base-Base interactions energy: -317.204 where: short stacking energy: -177.234 Base-Backbone interact. energy: -1.537 local terms energy: -245.306141 where: bonds (distance) C4'-P energy: -54.849 bonds (distance) P-C4' energy: -65.724 flat angles C4'-P-C4' energy: -42.781 flat angles P-C4'-P energy: -44.161 tors. eta vs tors. theta energy: -37.791 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: 6 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -468.158217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.158217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.158217 (E_RNA) where: Base-Base interactions energy: -269.730 where: short stacking energy: -148.689 Base-Backbone interact. energy: 6.546 local terms energy: -204.973957 where: bonds (distance) C4'-P energy: -49.065 bonds (distance) P-C4' energy: -63.723 flat angles C4'-P-C4' energy: -54.108 flat angles P-C4'-P energy: -36.317 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -295.196485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.196485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.196485 (E_RNA) where: Base-Base interactions energy: -120.347 where: short stacking energy: -97.662 Base-Backbone interact. energy: -0.754 local terms energy: -174.095365 where: bonds (distance) C4'-P energy: -59.974 bonds (distance) P-C4' energy: -41.781 flat angles C4'-P-C4' energy: -50.294 flat angles P-C4'-P energy: -28.949 tors. eta vs tors. theta energy: 6.903 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: 1 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1086.245885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.245885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.245885 (E_RNA) where: Base-Base interactions energy: -746.010 where: short stacking energy: -328.157 Base-Backbone interact. energy: -1.408 local terms energy: -338.827611 where: bonds (distance) C4'-P energy: -70.716 bonds (distance) P-C4' energy: -66.694 flat angles C4'-P-C4' energy: -71.627 flat angles P-C4'-P energy: -42.332 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: 9 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1072.821995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.821995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.821995 (E_RNA) where: Base-Base interactions energy: -716.357 where: short stacking energy: -343.493 Base-Backbone interact. energy: -0.883 local terms energy: -355.581560 where: bonds (distance) C4'-P energy: -65.905 bonds (distance) P-C4' energy: -65.991 flat angles C4'-P-C4' energy: -78.235 flat angles P-C4'-P energy: -44.605 tors. eta vs tors. theta energy: -100.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -974.475037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.475037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.475037 (E_RNA) where: Base-Base interactions energy: -658.297 where: short stacking energy: -296.595 Base-Backbone interact. energy: 0.022 local terms energy: -316.200381 where: bonds (distance) C4'-P energy: -56.694 bonds (distance) P-C4' energy: -67.856 flat angles C4'-P-C4' energy: -67.958 flat angles P-C4'-P energy: -42.109 tors. eta vs tors. theta energy: -81.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -931.029968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.029968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.029968 (E_RNA) where: Base-Base interactions energy: -597.060 where: short stacking energy: -297.885 Base-Backbone interact. energy: -1.496 local terms energy: -332.473573 where: bonds (distance) C4'-P energy: -61.087 bonds (distance) P-C4' energy: -55.435 flat angles C4'-P-C4' energy: -75.881 flat angles P-C4'-P energy: -50.235 tors. eta vs tors. theta energy: -89.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -877.559798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.559798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.559798 (E_RNA) where: Base-Base interactions energy: -565.531 where: short stacking energy: -260.678 Base-Backbone interact. energy: -1.428 local terms energy: -310.600740 where: bonds (distance) C4'-P energy: -74.469 bonds (distance) P-C4' energy: -62.273 flat angles C4'-P-C4' energy: -74.482 flat angles P-C4'-P energy: -35.746 tors. eta vs tors. theta energy: -63.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -732.048071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.048071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.048071 (E_RNA) where: Base-Base interactions energy: -460.580 where: short stacking energy: -237.880 Base-Backbone interact. energy: -0.901 local terms energy: -270.567057 where: bonds (distance) C4'-P energy: -45.941 bonds (distance) P-C4' energy: -60.822 flat angles C4'-P-C4' energy: -60.063 flat angles P-C4'-P energy: -46.963 tors. eta vs tors. theta energy: -56.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -642.970998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.970998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.970998 (E_RNA) where: Base-Base interactions energy: -378.862 where: short stacking energy: -203.989 Base-Backbone interact. energy: -0.161 local terms energy: -263.948738 where: bonds (distance) C4'-P energy: -50.941 bonds (distance) P-C4' energy: -72.750 flat angles C4'-P-C4' energy: -64.354 flat angles P-C4'-P energy: -29.823 tors. eta vs tors. theta energy: -46.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -613.579457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.579457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.579457 (E_RNA) where: Base-Base interactions energy: -350.173 where: short stacking energy: -191.420 Base-Backbone interact. energy: -2.899 local terms energy: -260.507948 where: bonds (distance) C4'-P energy: -60.979 bonds (distance) P-C4' energy: -60.753 flat angles C4'-P-C4' energy: -55.740 flat angles P-C4'-P energy: -42.322 tors. eta vs tors. theta energy: -40.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -489.017649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.017649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.017649 (E_RNA) where: Base-Base interactions energy: -277.706 where: short stacking energy: -142.076 Base-Backbone interact. energy: -0.504 local terms energy: -210.807848 where: bonds (distance) C4'-P energy: -47.872 bonds (distance) P-C4' energy: -52.792 flat angles C4'-P-C4' energy: -56.966 flat angles P-C4'-P energy: -36.973 tors. eta vs tors. theta energy: -16.206 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: 76 Temperature: 1.350000 Total energy: -271.798322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.798322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.798322 (E_RNA) where: Base-Base interactions energy: -88.784 where: short stacking energy: -85.922 Base-Backbone interact. energy: -1.064 local terms energy: -181.949620 where: bonds (distance) C4'-P energy: -48.792 bonds (distance) P-C4' energy: -44.733 flat angles C4'-P-C4' energy: -49.686 flat angles P-C4'-P energy: -39.194 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: 1 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1089.433221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.433221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.433221 (E_RNA) where: Base-Base interactions energy: -715.468 where: short stacking energy: -323.716 Base-Backbone interact. energy: -0.568 local terms energy: -373.397569 where: bonds (distance) C4'-P energy: -73.256 bonds (distance) P-C4' energy: -84.793 flat angles C4'-P-C4' energy: -73.423 flat angles P-C4'-P energy: -54.879 tors. eta vs tors. theta energy: -87.046 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: 9 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1041.678346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.678346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.678346 (E_RNA) where: Base-Base interactions energy: -678.896 where: short stacking energy: -313.076 Base-Backbone interact. energy: -1.309 local terms energy: -361.473519 where: bonds (distance) C4'-P energy: -74.566 bonds (distance) P-C4' energy: -69.474 flat angles C4'-P-C4' energy: -77.014 flat angles P-C4'-P energy: -50.645 tors. eta vs tors. theta energy: -89.775 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: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -982.789633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.789633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.789633 (E_RNA) where: Base-Base interactions energy: -637.162 where: short stacking energy: -291.660 Base-Backbone interact. energy: -2.055 local terms energy: -343.572088 where: bonds (distance) C4'-P energy: -72.932 bonds (distance) P-C4' energy: -68.837 flat angles C4'-P-C4' energy: -75.557 flat angles P-C4'-P energy: -49.956 tors. eta vs tors. theta energy: -76.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -930.106979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.106979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.106979 (E_RNA) where: Base-Base interactions energy: -599.519 where: short stacking energy: -306.234 Base-Backbone interact. energy: -1.900 local terms energy: -328.687333 where: bonds (distance) C4'-P energy: -60.832 bonds (distance) P-C4' energy: -68.547 flat angles C4'-P-C4' energy: -72.248 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -83.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -858.069242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.069242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.069242 (E_RNA) where: Base-Base interactions energy: -562.083 where: short stacking energy: -274.596 Base-Backbone interact. energy: -1.650 local terms energy: -294.335655 where: bonds (distance) C4'-P energy: -53.163 bonds (distance) P-C4' energy: -54.336 flat angles C4'-P-C4' energy: -67.856 flat angles P-C4'-P energy: -39.406 tors. eta vs tors. theta energy: -79.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -688.610915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.610915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.610915 (E_RNA) where: Base-Base interactions energy: -412.638 where: short stacking energy: -199.077 Base-Backbone interact. energy: 1.790 local terms energy: -277.762369 where: bonds (distance) C4'-P energy: -68.390 bonds (distance) P-C4' energy: -60.321 flat angles C4'-P-C4' energy: -61.705 flat angles P-C4'-P energy: -51.447 tors. eta vs tors. theta energy: -35.900 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: 4 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -677.594567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.594567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.594567 (E_RNA) where: Base-Base interactions energy: -413.187 where: short stacking energy: -203.777 Base-Backbone interact. energy: -1.163 local terms energy: -263.245162 where: bonds (distance) C4'-P energy: -49.374 bonds (distance) P-C4' energy: -68.221 flat angles C4'-P-C4' energy: -60.134 flat angles P-C4'-P energy: -37.587 tors. eta vs tors. theta energy: -47.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -570.234730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.234730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.234730 (E_RNA) where: Base-Base interactions energy: -340.334 where: short stacking energy: -185.416 Base-Backbone interact. energy: -1.129 local terms energy: -228.772306 where: bonds (distance) C4'-P energy: -46.443 bonds (distance) P-C4' energy: -62.507 flat angles C4'-P-C4' energy: -57.485 flat angles P-C4'-P energy: -29.500 tors. eta vs tors. theta energy: -32.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -434.227341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.227341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.227341 (E_RNA) where: Base-Base interactions energy: -209.350 where: short stacking energy: -132.162 Base-Backbone interact. energy: 3.599 local terms energy: -228.475968 where: bonds (distance) C4'-P energy: -51.073 bonds (distance) P-C4' energy: -57.980 flat angles C4'-P-C4' energy: -67.497 flat angles P-C4'-P energy: -36.940 tors. eta vs tors. theta energy: -14.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -292.798805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.798805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.798805 (E_RNA) where: Base-Base interactions energy: -101.739 where: short stacking energy: -97.797 Base-Backbone interact. energy: -0.825 local terms energy: -190.234148 where: bonds (distance) C4'-P energy: -51.030 bonds (distance) P-C4' energy: -64.436 flat angles C4'-P-C4' energy: -58.439 flat angles P-C4'-P energy: -30.313 tors. eta vs tors. theta energy: 13.984 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: 78 Temperature: 0.900000 Total energy: -1099.395947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.395947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.395947 (E_RNA) where: Base-Base interactions energy: -746.819 where: short stacking energy: -338.062 Base-Backbone interact. energy: -0.357 local terms energy: -352.220109 where: bonds (distance) C4'-P energy: -63.282 bonds (distance) P-C4' energy: -68.344 flat angles C4'-P-C4' energy: -76.670 flat angles P-C4'-P energy: -50.543 tors. eta vs tors. theta energy: -93.381 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: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1036.292165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.292165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.292165 (E_RNA) where: Base-Base interactions energy: -676.156 where: short stacking energy: -322.391 Base-Backbone interact. energy: 0.004 local terms energy: -360.140169 where: bonds (distance) C4'-P energy: -66.243 bonds (distance) P-C4' energy: -74.602 flat angles C4'-P-C4' energy: -68.893 flat angles P-C4'-P energy: -55.263 tors. eta vs tors. theta energy: -95.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -996.374913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.374913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.374913 (E_RNA) where: Base-Base interactions energy: -653.406 where: short stacking energy: -302.355 Base-Backbone interact. energy: 0.024 local terms energy: -342.993453 where: bonds (distance) C4'-P energy: -60.053 bonds (distance) P-C4' energy: -69.057 flat angles C4'-P-C4' energy: -72.607 flat angles P-C4'-P energy: -51.221 tors. eta vs tors. theta energy: -90.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -960.102009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.102009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.102009 (E_RNA) where: Base-Base interactions energy: -634.189 where: short stacking energy: -307.387 Base-Backbone interact. energy: -0.996 local terms energy: -324.917959 where: bonds (distance) C4'-P energy: -69.802 bonds (distance) P-C4' energy: -64.555 flat angles C4'-P-C4' energy: -68.140 flat angles P-C4'-P energy: -36.911 tors. eta vs tors. theta energy: -85.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -865.066102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.066102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.066102 (E_RNA) where: Base-Base interactions energy: -568.502 where: short stacking energy: -261.983 Base-Backbone interact. energy: 0.175 local terms energy: -296.739428 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -57.627 flat angles C4'-P-C4' energy: -63.602 flat angles P-C4'-P energy: -43.583 tors. eta vs tors. theta energy: -72.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -675.757085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.757085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.757085 (E_RNA) where: Base-Base interactions energy: -410.075 where: short stacking energy: -202.329 Base-Backbone interact. energy: -0.626 local terms energy: -265.055961 where: bonds (distance) C4'-P energy: -66.912 bonds (distance) P-C4' energy: -58.656 flat angles C4'-P-C4' energy: -61.113 flat angles P-C4'-P energy: -33.754 tors. eta vs tors. theta energy: -44.621 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: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -646.622802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.622802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.622802 (E_RNA) where: Base-Base interactions energy: -395.909 where: short stacking energy: -188.789 Base-Backbone interact. energy: -1.267 local terms energy: -249.446849 where: bonds (distance) C4'-P energy: -53.549 bonds (distance) P-C4' energy: -61.171 flat angles C4'-P-C4' energy: -64.754 flat angles P-C4'-P energy: -35.271 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: 7 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -586.871508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.871508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.871508 (E_RNA) where: Base-Base interactions energy: -334.732 where: short stacking energy: -178.971 Base-Backbone interact. energy: -0.529 local terms energy: -251.610998 where: bonds (distance) C4'-P energy: -57.555 bonds (distance) P-C4' energy: -70.543 flat angles C4'-P-C4' energy: -62.244 flat angles P-C4'-P energy: -37.999 tors. eta vs tors. theta energy: -23.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -444.478078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.478078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.478078 (E_RNA) where: Base-Base interactions energy: -223.541 where: short stacking energy: -125.183 Base-Backbone interact. energy: 0.184 local terms energy: -221.120880 where: bonds (distance) C4'-P energy: -56.236 bonds (distance) P-C4' energy: -59.991 flat angles C4'-P-C4' energy: -59.163 flat angles P-C4'-P energy: -36.042 tors. eta vs tors. theta energy: -9.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -287.055782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.055782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.055782 (E_RNA) where: Base-Base interactions energy: -101.388 where: short stacking energy: -80.401 Base-Backbone interact. energy: -1.362 local terms energy: -184.305503 where: bonds (distance) C4'-P energy: -61.090 bonds (distance) P-C4' energy: -53.992 flat angles C4'-P-C4' energy: -40.528 flat angles P-C4'-P energy: -33.102 tors. eta vs tors. theta energy: 4.407 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: 1 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1102.649498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.649498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.649498 (E_RNA) where: Base-Base interactions energy: -729.219 where: short stacking energy: -340.259 Base-Backbone interact. energy: -1.572 local terms energy: -371.858255 where: bonds (distance) C4'-P energy: -66.032 bonds (distance) P-C4' energy: -70.057 flat angles C4'-P-C4' energy: -80.659 flat angles P-C4'-P energy: -56.805 tors. eta vs tors. theta energy: -98.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1036.521905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.521905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.521905 (E_RNA) where: Base-Base interactions energy: -694.421 where: short stacking energy: -316.083 Base-Backbone interact. energy: 0.435 local terms energy: -342.536051 where: bonds (distance) C4'-P energy: -62.454 bonds (distance) P-C4' energy: -68.299 flat angles C4'-P-C4' energy: -76.262 flat angles P-C4'-P energy: -46.326 tors. eta vs tors. theta energy: -89.194 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: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -985.578035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.578035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.578035 (E_RNA) where: Base-Base interactions energy: -663.681 where: short stacking energy: -309.219 Base-Backbone interact. energy: -1.241 local terms energy: -320.656699 where: bonds (distance) C4'-P energy: -73.259 bonds (distance) P-C4' energy: -56.863 flat angles C4'-P-C4' energy: -71.717 flat angles P-C4'-P energy: -44.286 tors. eta vs tors. theta energy: -74.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -957.899868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.899868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.899868 (E_RNA) where: Base-Base interactions energy: -643.876 where: short stacking energy: -300.439 Base-Backbone interact. energy: -0.612 local terms energy: -313.411655 where: bonds (distance) C4'-P energy: -61.255 bonds (distance) P-C4' energy: -55.048 flat angles C4'-P-C4' energy: -70.075 flat angles P-C4'-P energy: -43.730 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: 79 Temperature: 1.100000 Total energy: -861.798594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.798594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.798594 (E_RNA) where: Base-Base interactions energy: -553.711 where: short stacking energy: -260.696 Base-Backbone interact. energy: -0.768 local terms energy: -307.319728 where: bonds (distance) C4'-P energy: -64.424 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -58.912 flat angles P-C4'-P energy: -49.463 tors. eta vs tors. theta energy: -66.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -667.260054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.260054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.260054 (E_RNA) where: Base-Base interactions energy: -402.787 where: short stacking energy: -200.075 Base-Backbone interact. energy: -1.984 local terms energy: -262.489470 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -66.756 flat angles C4'-P-C4' energy: -57.233 flat angles P-C4'-P energy: -48.068 tors. eta vs tors. theta energy: -30.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -705.088936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.088936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.088936 (E_RNA) where: Base-Base interactions energy: -419.102 where: short stacking energy: -216.902 Base-Backbone interact. energy: -0.715 local terms energy: -285.271416 where: bonds (distance) C4'-P energy: -60.741 bonds (distance) P-C4' energy: -62.680 flat angles C4'-P-C4' energy: -57.853 flat angles P-C4'-P energy: -47.562 tors. eta vs tors. theta energy: -56.436 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: 8, replica: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -514.870500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.870500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.870500 (E_RNA) where: Base-Base interactions energy: -269.783 where: short stacking energy: -141.076 Base-Backbone interact. energy: -1.303 local terms energy: -243.783829 where: bonds (distance) C4'-P energy: -56.473 bonds (distance) P-C4' energy: -70.458 flat angles C4'-P-C4' energy: -59.997 flat angles P-C4'-P energy: -32.501 tors. eta vs tors. theta energy: -24.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -455.449276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.449276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.449276 (E_RNA) where: Base-Base interactions energy: -235.814 where: short stacking energy: -138.076 Base-Backbone interact. energy: -0.797 local terms energy: -218.838927 where: bonds (distance) C4'-P energy: -56.908 bonds (distance) P-C4' energy: -55.285 flat angles C4'-P-C4' energy: -47.127 flat angles P-C4'-P energy: -39.271 tors. eta vs tors. theta energy: -20.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -333.548644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.548644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.548644 (E_RNA) where: Base-Base interactions energy: -141.298 where: short stacking energy: -80.575 Base-Backbone interact. energy: -0.925 local terms energy: -191.325649 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -44.627 flat angles C4'-P-C4' energy: -43.936 flat angles P-C4'-P energy: -35.495 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1084.051161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.051161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.051161 (E_RNA) where: Base-Base interactions energy: -721.811 where: short stacking energy: -334.925 Base-Backbone interact. energy: -3.540 local terms energy: -358.700321 where: bonds (distance) C4'-P energy: -69.605 bonds (distance) P-C4' energy: -65.870 flat angles C4'-P-C4' energy: -80.777 flat angles P-C4'-P energy: -52.993 tors. eta vs tors. theta energy: -89.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1018.796746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.796746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.796746 (E_RNA) where: Base-Base interactions energy: -665.106 where: short stacking energy: -322.916 Base-Backbone interact. energy: 1.158 local terms energy: -354.849516 where: bonds (distance) C4'-P energy: -68.057 bonds (distance) P-C4' energy: -66.572 flat angles C4'-P-C4' energy: -74.358 flat angles P-C4'-P energy: -56.619 tors. eta vs tors. theta energy: -89.243 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: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1003.418636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.418636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.418636 (E_RNA) where: Base-Base interactions energy: -658.207 where: short stacking energy: -312.474 Base-Backbone interact. energy: -0.744 local terms energy: -344.467401 where: bonds (distance) C4'-P energy: -70.330 bonds (distance) P-C4' energy: -67.172 flat angles C4'-P-C4' energy: -67.625 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -93.309 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: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -971.456205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.456205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.456205 (E_RNA) where: Base-Base interactions energy: -633.472 where: short stacking energy: -302.239 Base-Backbone interact. energy: -1.563 local terms energy: -336.421243 where: bonds (distance) C4'-P energy: -70.931 bonds (distance) P-C4' energy: -72.128 flat angles C4'-P-C4' energy: -68.501 flat angles P-C4'-P energy: -39.744 tors. eta vs tors. theta energy: -85.117 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: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -895.473922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.473922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.473922 (E_RNA) where: Base-Base interactions energy: -572.398 where: short stacking energy: -272.228 Base-Backbone interact. energy: -1.109 local terms energy: -321.967070 where: bonds (distance) C4'-P energy: -55.613 bonds (distance) P-C4' energy: -68.718 flat angles C4'-P-C4' energy: -75.711 flat angles P-C4'-P energy: -42.828 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: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -692.331051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.331051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.331051 (E_RNA) where: Base-Base interactions energy: -431.123 where: short stacking energy: -250.871 Base-Backbone interact. energy: -1.402 local terms energy: -259.806373 where: bonds (distance) C4'-P energy: -48.952 bonds (distance) P-C4' energy: -57.876 flat angles C4'-P-C4' energy: -70.110 flat angles P-C4'-P energy: -35.110 tors. eta vs tors. theta energy: -47.759 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: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -694.734174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.734174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.734174 (E_RNA) where: Base-Base interactions energy: -403.234 where: short stacking energy: -208.298 Base-Backbone interact. energy: -1.004 local terms energy: -290.496136 where: bonds (distance) C4'-P energy: -65.209 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -73.259 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: -50.337 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: 7 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -505.753647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.753647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.753647 (E_RNA) where: Base-Base interactions energy: -276.079 where: short stacking energy: -154.490 Base-Backbone interact. energy: -0.873 local terms energy: -228.801510 where: bonds (distance) C4'-P energy: -65.102 bonds (distance) P-C4' energy: -62.547 flat angles C4'-P-C4' energy: -52.756 flat angles P-C4'-P energy: -30.200 tors. eta vs tors. theta energy: -18.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -288.727442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.727442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.727442 (E_RNA) where: Base-Base interactions energy: -112.705 where: short stacking energy: -111.923 Base-Backbone interact. energy: -0.358 local terms energy: -175.663548 where: bonds (distance) C4'-P energy: -57.952 bonds (distance) P-C4' energy: -44.022 flat angles C4'-P-C4' energy: -58.769 flat angles P-C4'-P energy: -16.082 tors. eta vs tors. theta energy: 1.162 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: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -427.701285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.701285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.701285 (E_RNA) where: Base-Base interactions energy: -229.247 where: short stacking energy: -117.715 Base-Backbone interact. energy: 3.188 local terms energy: -201.642317 where: bonds (distance) C4'-P energy: -43.170 bonds (distance) P-C4' energy: -55.424 flat angles C4'-P-C4' energy: -62.918 flat angles P-C4'-P energy: -31.119 tors. eta vs tors. theta energy: -9.012 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: 81 Temperature: 0.900000 Total energy: -1100.365342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.365342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.365342 (E_RNA) where: Base-Base interactions energy: -739.431 where: short stacking energy: -338.503 Base-Backbone interact. energy: -2.399 local terms energy: -358.535466 where: bonds (distance) C4'-P energy: -69.052 bonds (distance) P-C4' energy: -72.189 flat angles C4'-P-C4' energy: -75.639 flat angles P-C4'-P energy: -52.307 tors. eta vs tors. theta energy: -89.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1028.356067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.356067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.356067 (E_RNA) where: Base-Base interactions energy: -670.762 where: short stacking energy: -323.768 Base-Backbone interact. energy: -1.105 local terms energy: -356.489022 where: bonds (distance) C4'-P energy: -67.812 bonds (distance) P-C4' energy: -75.440 flat angles C4'-P-C4' energy: -79.627 flat angles P-C4'-P energy: -40.995 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: 3, replica: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1005.794943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.794943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.794943 (E_RNA) where: Base-Base interactions energy: -661.094 where: short stacking energy: -306.029 Base-Backbone interact. energy: -1.006 local terms energy: -343.694874 where: bonds (distance) C4'-P energy: -68.296 bonds (distance) P-C4' energy: -71.661 flat angles C4'-P-C4' energy: -73.597 flat angles P-C4'-P energy: -45.129 tors. eta vs tors. theta energy: -85.012 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: 81 Temperature: 1.050000 Total energy: -949.808216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.808216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.808216 (E_RNA) where: Base-Base interactions energy: -628.188 where: short stacking energy: -300.653 Base-Backbone interact. energy: -1.063 local terms energy: -320.557719 where: bonds (distance) C4'-P energy: -65.230 bonds (distance) P-C4' energy: -59.103 flat angles C4'-P-C4' energy: -72.595 flat angles P-C4'-P energy: -45.991 tors. eta vs tors. theta energy: -77.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -900.290404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.290404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.290404 (E_RNA) where: Base-Base interactions energy: -599.380 where: short stacking energy: -266.816 Base-Backbone interact. energy: 2.010 local terms energy: -302.920341 where: bonds (distance) C4'-P energy: -60.550 bonds (distance) P-C4' energy: -61.988 flat angles C4'-P-C4' energy: -65.196 flat angles P-C4'-P energy: -50.777 tors. eta vs tors. theta energy: -64.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -728.084701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.084701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.084701 (E_RNA) where: Base-Base interactions energy: -440.670 where: short stacking energy: -210.257 Base-Backbone interact. energy: -0.981 local terms energy: -286.432956 where: bonds (distance) C4'-P energy: -59.103 bonds (distance) P-C4' energy: -60.210 flat angles C4'-P-C4' energy: -65.042 flat angles P-C4'-P energy: -43.818 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: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -709.422011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.422011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.422011 (E_RNA) where: Base-Base interactions energy: -434.950 where: short stacking energy: -187.172 Base-Backbone interact. energy: 0.661 local terms energy: -275.133063 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -68.695 flat angles C4'-P-C4' energy: -54.894 flat angles P-C4'-P energy: -44.944 tors. eta vs tors. theta energy: -49.390 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: 81 Temperature: 1.250000 Total energy: -475.846940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.846940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.846940 (E_RNA) where: Base-Base interactions energy: -281.823 where: short stacking energy: -154.849 Base-Backbone interact. energy: -1.668 local terms energy: -192.355495 where: bonds (distance) C4'-P energy: -56.165 bonds (distance) P-C4' energy: -58.378 flat angles C4'-P-C4' energy: -48.864 flat angles P-C4'-P energy: -20.918 tors. eta vs tors. theta energy: -8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -296.106282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.106282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.106282 (E_RNA) where: Base-Base interactions energy: -120.652 where: short stacking energy: -75.066 Base-Backbone interact. energy: -0.167 local terms energy: -175.287644 where: bonds (distance) C4'-P energy: -51.167 bonds (distance) P-C4' energy: -70.200 flat angles C4'-P-C4' energy: -53.531 flat angles P-C4'-P energy: -13.357 tors. eta vs tors. theta energy: 12.967 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: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -453.054376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.054376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.054376 (E_RNA) where: Base-Base interactions energy: -246.854 where: short stacking energy: -133.975 Base-Backbone interact. energy: -0.041 local terms energy: -206.159067 where: bonds (distance) C4'-P energy: -42.294 bonds (distance) P-C4' energy: -63.047 flat angles C4'-P-C4' energy: -50.644 flat angles P-C4'-P energy: -30.516 tors. eta vs tors. theta energy: -19.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1089.458452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.458452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.458452 (E_RNA) where: Base-Base interactions energy: -736.185 where: short stacking energy: -338.723 Base-Backbone interact. energy: -2.325 local terms energy: -350.948832 where: bonds (distance) C4'-P energy: -64.760 bonds (distance) P-C4' energy: -72.361 flat angles C4'-P-C4' energy: -72.994 flat angles P-C4'-P energy: -50.806 tors. eta vs tors. theta energy: -90.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1022.865157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.865157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.865157 (E_RNA) where: Base-Base interactions energy: -675.759 where: short stacking energy: -329.920 Base-Backbone interact. energy: -0.883 local terms energy: -346.223715 where: bonds (distance) C4'-P energy: -64.769 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -76.782 flat angles P-C4'-P energy: -45.158 tors. eta vs tors. theta energy: -94.666 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: 3, replica: 9 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1007.822080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.822080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.822080 (E_RNA) where: Base-Base interactions energy: -665.434 where: short stacking energy: -310.440 Base-Backbone interact. energy: 0.448 local terms energy: -342.836556 where: bonds (distance) C4'-P energy: -61.186 bonds (distance) P-C4' energy: -70.512 flat angles C4'-P-C4' energy: -77.555 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -86.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -945.621035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.621035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.621035 (E_RNA) where: Base-Base interactions energy: -630.398 where: short stacking energy: -303.182 Base-Backbone interact. energy: -1.406 local terms energy: -313.817234 where: bonds (distance) C4'-P energy: -59.649 bonds (distance) P-C4' energy: -48.544 flat angles C4'-P-C4' energy: -70.828 flat angles P-C4'-P energy: -49.465 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: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -902.631646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.631646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.631646 (E_RNA) where: Base-Base interactions energy: -612.015 where: short stacking energy: -266.440 Base-Backbone interact. energy: 5.846 local terms energy: -296.462601 where: bonds (distance) C4'-P energy: -63.566 bonds (distance) P-C4' energy: -59.191 flat angles C4'-P-C4' energy: -54.982 flat angles P-C4'-P energy: -53.472 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: 3 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -747.438067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.438067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.438067 (E_RNA) where: Base-Base interactions energy: -451.741 where: short stacking energy: -224.514 Base-Backbone interact. energy: -0.430 local terms energy: -295.267162 where: bonds (distance) C4'-P energy: -60.717 bonds (distance) P-C4' energy: -67.887 flat angles C4'-P-C4' energy: -67.892 flat angles P-C4'-P energy: -41.411 tors. eta vs tors. theta energy: -57.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -710.904256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.904256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.904256 (E_RNA) where: Base-Base interactions energy: -450.367 where: short stacking energy: -233.266 Base-Backbone interact. energy: -0.818 local terms energy: -259.719744 where: bonds (distance) C4'-P energy: -54.783 bonds (distance) P-C4' energy: -61.118 flat angles C4'-P-C4' energy: -55.025 flat angles P-C4'-P energy: -39.969 tors. eta vs tors. theta energy: -48.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -489.098301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.098301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.098301 (E_RNA) where: Base-Base interactions energy: -262.956 where: short stacking energy: -147.041 Base-Backbone interact. energy: -0.669 local terms energy: -225.473904 where: bonds (distance) C4'-P energy: -58.422 bonds (distance) P-C4' energy: -60.038 flat angles C4'-P-C4' energy: -58.929 flat angles P-C4'-P energy: -28.142 tors. eta vs tors. theta energy: -19.944 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: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -421.934784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.934784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.934784 (E_RNA) where: Base-Base interactions energy: -217.085 where: short stacking energy: -111.377 Base-Backbone interact. energy: -0.001 local terms energy: -204.847910 where: bonds (distance) C4'-P energy: -63.735 bonds (distance) P-C4' energy: -55.066 flat angles C4'-P-C4' energy: -52.056 flat angles P-C4'-P energy: -34.835 tors. eta vs tors. theta energy: 0.843 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: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -283.917631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.917631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.917631 (E_RNA) where: Base-Base interactions energy: -110.583 where: short stacking energy: -94.412 Base-Backbone interact. energy: 2.129 local terms energy: -175.463585 where: bonds (distance) C4'-P energy: -57.231 bonds (distance) P-C4' energy: -63.694 flat angles C4'-P-C4' energy: -49.358 flat angles P-C4'-P energy: -12.396 tors. eta vs tors. theta energy: 7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1094.679956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.679956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.679956 (E_RNA) where: Base-Base interactions energy: -714.888 where: short stacking energy: -324.329 Base-Backbone interact. energy: -4.214 local terms energy: -375.577224 where: bonds (distance) C4'-P energy: -75.190 bonds (distance) P-C4' energy: -78.620 flat angles C4'-P-C4' energy: -75.198 flat angles P-C4'-P energy: -48.709 tors. eta vs tors. theta energy: -97.860 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: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1036.019517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.019517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.019517 (E_RNA) where: Base-Base interactions energy: -696.327 where: short stacking energy: -358.956 Base-Backbone interact. energy: -1.287 local terms energy: -338.404865 where: bonds (distance) C4'-P energy: -56.155 bonds (distance) P-C4' energy: -70.812 flat angles C4'-P-C4' energy: -74.551 flat angles P-C4'-P energy: -38.685 tors. eta vs tors. theta energy: -98.202 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: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -970.769111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.769111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.769111 (E_RNA) where: Base-Base interactions energy: -645.947 where: short stacking energy: -310.055 Base-Backbone interact. energy: -1.657 local terms energy: -323.165049 where: bonds (distance) C4'-P energy: -60.665 bonds (distance) P-C4' energy: -71.053 flat angles C4'-P-C4' energy: -62.703 flat angles P-C4'-P energy: -44.710 tors. eta vs tors. theta energy: -84.035 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: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -932.559609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.559609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.559609 (E_RNA) where: Base-Base interactions energy: -603.404 where: short stacking energy: -259.327 Base-Backbone interact. energy: 0.050 local terms energy: -329.204883 where: bonds (distance) C4'-P energy: -67.647 bonds (distance) P-C4' energy: -68.079 flat angles C4'-P-C4' energy: -75.486 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: -68.717 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: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -842.613510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.613510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.613510 (E_RNA) where: Base-Base interactions energy: -544.119 where: short stacking energy: -258.145 Base-Backbone interact. energy: 1.770 local terms energy: -300.264079 where: bonds (distance) C4'-P energy: -66.001 bonds (distance) P-C4' energy: -67.661 flat angles C4'-P-C4' energy: -69.699 flat angles P-C4'-P energy: -31.724 tors. eta vs tors. theta energy: -65.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -788.622355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.622355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.622355 (E_RNA) where: Base-Base interactions energy: -507.569 where: short stacking energy: -250.977 Base-Backbone interact. energy: 1.658 local terms energy: -282.711711 where: bonds (distance) C4'-P energy: -58.535 bonds (distance) P-C4' energy: -56.183 flat angles C4'-P-C4' energy: -57.591 flat angles P-C4'-P energy: -42.632 tors. eta vs tors. theta energy: -67.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -693.073879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.073879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.073879 (E_RNA) where: Base-Base interactions energy: -422.272 where: short stacking energy: -199.575 Base-Backbone interact. energy: -0.960 local terms energy: -269.841851 where: bonds (distance) C4'-P energy: -55.172 bonds (distance) P-C4' energy: -70.710 flat angles C4'-P-C4' energy: -58.686 flat angles P-C4'-P energy: -39.735 tors. eta vs tors. theta energy: -45.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -500.931619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.931619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.931619 (E_RNA) where: Base-Base interactions energy: -267.339 where: short stacking energy: -158.660 Base-Backbone interact. energy: -0.691 local terms energy: -232.901941 where: bonds (distance) C4'-P energy: -58.916 bonds (distance) P-C4' energy: -60.871 flat angles C4'-P-C4' energy: -54.526 flat angles P-C4'-P energy: -38.781 tors. eta vs tors. theta energy: -19.808 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: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -459.891396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.891396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.891396 (E_RNA) where: Base-Base interactions energy: -250.357 where: short stacking energy: -148.714 Base-Backbone interact. energy: 1.036 local terms energy: -210.571032 where: bonds (distance) C4'-P energy: -44.680 bonds (distance) P-C4' energy: -57.491 flat angles C4'-P-C4' energy: -57.130 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: -15.296 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: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -319.371626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.371626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.371626 (E_RNA) where: Base-Base interactions energy: -126.645 where: short stacking energy: -90.088 Base-Backbone interact. energy: -0.980 local terms energy: -191.746439 where: bonds (distance) C4'-P energy: -56.579 bonds (distance) P-C4' energy: -50.466 flat angles C4'-P-C4' energy: -58.820 flat angles P-C4'-P energy: -35.149 tors. eta vs tors. theta energy: 9.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1119.828310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.828310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.828310 (E_RNA) where: Base-Base interactions energy: -743.831 where: short stacking energy: -335.406 Base-Backbone interact. energy: -2.273 local terms energy: -373.724337 where: bonds (distance) C4'-P energy: -75.728 bonds (distance) P-C4' energy: -72.065 flat angles C4'-P-C4' energy: -81.753 flat angles P-C4'-P energy: -51.862 tors. eta vs tors. theta energy: -92.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1011.906033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.906033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.906033 (E_RNA) where: Base-Base interactions energy: -659.159 where: short stacking energy: -315.142 Base-Backbone interact. energy: -0.912 local terms energy: -351.834494 where: bonds (distance) C4'-P energy: -72.011 bonds (distance) P-C4' energy: -68.495 flat angles C4'-P-C4' energy: -74.882 flat angles P-C4'-P energy: -47.155 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: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -988.070024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.070024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.070024 (E_RNA) where: Base-Base interactions energy: -655.689 where: short stacking energy: -311.579 Base-Backbone interact. energy: -1.139 local terms energy: -331.241825 where: bonds (distance) C4'-P energy: -63.109 bonds (distance) P-C4' energy: -66.462 flat angles C4'-P-C4' energy: -71.757 flat angles P-C4'-P energy: -49.644 tors. eta vs tors. theta energy: -80.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -923.265512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.265512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.265512 (E_RNA) where: Base-Base interactions energy: -601.632 where: short stacking energy: -284.300 Base-Backbone interact. energy: -0.691 local terms energy: -320.942156 where: bonds (distance) C4'-P energy: -57.146 bonds (distance) P-C4' energy: -70.592 flat angles C4'-P-C4' energy: -63.363 flat angles P-C4'-P energy: -48.745 tors. eta vs tors. theta energy: -81.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -868.075406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.075406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.075406 (E_RNA) where: Base-Base interactions energy: -565.240 where: short stacking energy: -253.195 Base-Backbone interact. energy: -1.695 local terms energy: -301.141120 where: bonds (distance) C4'-P energy: -63.215 bonds (distance) P-C4' energy: -61.351 flat angles C4'-P-C4' energy: -68.500 flat angles P-C4'-P energy: -38.777 tors. eta vs tors. theta energy: -69.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -753.937798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.937798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.937798 (E_RNA) where: Base-Base interactions energy: -462.154 where: short stacking energy: -230.577 Base-Backbone interact. energy: -0.970 local terms energy: -290.813279 where: bonds (distance) C4'-P energy: -54.471 bonds (distance) P-C4' energy: -74.430 flat angles C4'-P-C4' energy: -62.136 flat angles P-C4'-P energy: -29.514 tors. eta vs tors. theta energy: -70.261 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: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -705.752285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.752285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.752285 (E_RNA) where: Base-Base interactions energy: -433.922 where: short stacking energy: -184.171 Base-Backbone interact. energy: -1.952 local terms energy: -269.878176 where: bonds (distance) C4'-P energy: -60.299 bonds (distance) P-C4' energy: -58.896 flat angles C4'-P-C4' energy: -67.708 flat angles P-C4'-P energy: -44.581 tors. eta vs tors. theta energy: -38.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -504.223692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.223692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.223692 (E_RNA) where: Base-Base interactions energy: -297.594 where: short stacking energy: -167.663 Base-Backbone interact. energy: 5.454 local terms energy: -212.083756 where: bonds (distance) C4'-P energy: -49.067 bonds (distance) P-C4' energy: -60.551 flat angles C4'-P-C4' energy: -50.891 flat angles P-C4'-P energy: -29.256 tors. eta vs tors. theta energy: -22.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -440.891760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.891760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.891760 (E_RNA) where: Base-Base interactions energy: -251.441 where: short stacking energy: -133.591 Base-Backbone interact. energy: 0.966 local terms energy: -190.417097 where: bonds (distance) C4'-P energy: -54.293 bonds (distance) P-C4' energy: -49.140 flat angles C4'-P-C4' energy: -55.708 flat angles P-C4'-P energy: -20.394 tors. eta vs tors. theta energy: -10.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -284.277155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.277155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.277155 (E_RNA) where: Base-Base interactions energy: -99.449 where: short stacking energy: -71.971 Base-Backbone interact. energy: 1.161 local terms energy: -185.989698 where: bonds (distance) C4'-P energy: -51.738 bonds (distance) P-C4' energy: -52.081 flat angles C4'-P-C4' energy: -49.981 flat angles P-C4'-P energy: -40.080 tors. eta vs tors. theta energy: 7.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1121.188011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.188011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.188011 (E_RNA) where: Base-Base interactions energy: -755.908 where: short stacking energy: -319.231 Base-Backbone interact. energy: -4.679 local terms energy: -360.600798 where: bonds (distance) C4'-P energy: -64.905 bonds (distance) P-C4' energy: -69.745 flat angles C4'-P-C4' energy: -79.942 flat angles P-C4'-P energy: -55.776 tors. eta vs tors. theta energy: -90.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1019.543477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.543477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.543477 (E_RNA) where: Base-Base interactions energy: -680.065 where: short stacking energy: -325.697 Base-Backbone interact. energy: 0.378 local terms energy: -339.856464 where: bonds (distance) C4'-P energy: -67.548 bonds (distance) P-C4' energy: -70.800 flat angles C4'-P-C4' energy: -70.109 flat angles P-C4'-P energy: -52.521 tors. eta vs tors. theta energy: -78.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -968.576946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.576946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.576946 (E_RNA) where: Base-Base interactions energy: -642.515 where: short stacking energy: -282.005 Base-Backbone interact. energy: -0.919 local terms energy: -325.142718 where: bonds (distance) C4'-P energy: -58.340 bonds (distance) P-C4' energy: -71.753 flat angles C4'-P-C4' energy: -64.440 flat angles P-C4'-P energy: -55.239 tors. eta vs tors. theta energy: -75.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -929.244539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.244539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.244539 (E_RNA) where: Base-Base interactions energy: -611.992 where: short stacking energy: -283.969 Base-Backbone interact. energy: -0.651 local terms energy: -316.601862 where: bonds (distance) C4'-P energy: -58.971 bonds (distance) P-C4' energy: -64.813 flat angles C4'-P-C4' energy: -67.702 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: -82.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -837.591458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.591458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.591458 (E_RNA) where: Base-Base interactions energy: -535.419 where: short stacking energy: -235.866 Base-Backbone interact. energy: -2.724 local terms energy: -299.448412 where: bonds (distance) C4'-P energy: -61.095 bonds (distance) P-C4' energy: -65.750 flat angles C4'-P-C4' energy: -65.951 flat angles P-C4'-P energy: -46.887 tors. eta vs tors. theta energy: -59.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -747.680056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.680056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.680056 (E_RNA) where: Base-Base interactions energy: -464.382 where: short stacking energy: -233.921 Base-Backbone interact. energy: 1.988 local terms energy: -285.286125 where: bonds (distance) C4'-P energy: -65.066 bonds (distance) P-C4' energy: -59.349 flat angles C4'-P-C4' energy: -66.565 flat angles P-C4'-P energy: -43.252 tors. eta vs tors. theta energy: -51.054 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: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -617.429824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.429824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.429824 (E_RNA) where: Base-Base interactions energy: -376.585 where: short stacking energy: -178.279 Base-Backbone interact. energy: 1.139 local terms energy: -241.984183 where: bonds (distance) C4'-P energy: -48.909 bonds (distance) P-C4' energy: -69.439 flat angles C4'-P-C4' energy: -58.642 flat angles P-C4'-P energy: -30.248 tors. eta vs tors. theta energy: -34.746 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: 85 Temperature: 1.250000 Total energy: -509.425202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.425202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.425202 (E_RNA) where: Base-Base interactions energy: -284.589 where: short stacking energy: -158.538 Base-Backbone interact. energy: -1.042 local terms energy: -223.793872 where: bonds (distance) C4'-P energy: -62.107 bonds (distance) P-C4' energy: -54.320 flat angles C4'-P-C4' energy: -40.211 flat angles P-C4'-P energy: -42.082 tors. eta vs tors. theta energy: -25.074 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: 6 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -463.683272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.683272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.683272 (E_RNA) where: Base-Base interactions energy: -225.311 where: short stacking energy: -138.337 Base-Backbone interact. energy: 4.503 local terms energy: -242.875538 where: bonds (distance) C4'-P energy: -56.859 bonds (distance) P-C4' energy: -61.555 flat angles C4'-P-C4' energy: -62.053 flat angles P-C4'-P energy: -37.099 tors. eta vs tors. theta energy: -25.310 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: 85 Temperature: 1.350000 Total energy: -285.487428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.487428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.487428 (E_RNA) where: Base-Base interactions energy: -89.743 where: short stacking energy: -84.366 Base-Backbone interact. energy: 2.516 local terms energy: -198.259566 where: bonds (distance) C4'-P energy: -46.500 bonds (distance) P-C4' energy: -52.295 flat angles C4'-P-C4' energy: -58.264 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: 1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1100.583824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.583824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.583824 (E_RNA) where: Base-Base interactions energy: -730.584 where: short stacking energy: -315.774 Base-Backbone interact. energy: -1.204 local terms energy: -368.795661 where: bonds (distance) C4'-P energy: -73.554 bonds (distance) P-C4' energy: -71.917 flat angles C4'-P-C4' energy: -78.470 flat angles P-C4'-P energy: -49.701 tors. eta vs tors. theta energy: -95.154 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: 86 Temperature: 0.950000 Total energy: -1032.626478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.626478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.626478 (E_RNA) where: Base-Base interactions energy: -673.973 where: short stacking energy: -325.525 Base-Backbone interact. energy: -2.823 local terms energy: -355.830595 where: bonds (distance) C4'-P energy: -73.006 bonds (distance) P-C4' energy: -69.106 flat angles C4'-P-C4' energy: -71.018 flat angles P-C4'-P energy: -48.653 tors. eta vs tors. theta energy: -94.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -990.529153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.529153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.529153 (E_RNA) where: Base-Base interactions energy: -670.376 where: short stacking energy: -301.861 Base-Backbone interact. energy: -0.681 local terms energy: -319.472623 where: bonds (distance) C4'-P energy: -60.071 bonds (distance) P-C4' energy: -66.553 flat angles C4'-P-C4' energy: -62.410 flat angles P-C4'-P energy: -47.940 tors. eta vs tors. theta energy: -82.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -935.638939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.638939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.638939 (E_RNA) where: Base-Base interactions energy: -609.383 where: short stacking energy: -275.257 Base-Backbone interact. energy: -1.351 local terms energy: -324.904612 where: bonds (distance) C4'-P energy: -60.218 bonds (distance) P-C4' energy: -65.314 flat angles C4'-P-C4' energy: -72.957 flat angles P-C4'-P energy: -47.513 tors. eta vs tors. theta energy: -78.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -785.051516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.051516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.051516 (E_RNA) where: Base-Base interactions energy: -478.910 where: short stacking energy: -258.591 Base-Backbone interact. energy: -0.229 local terms energy: -305.911684 where: bonds (distance) C4'-P energy: -64.270 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -65.221 flat angles P-C4'-P energy: -43.560 tors. eta vs tors. theta energy: -61.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -804.752013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.752013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.752013 (E_RNA) where: Base-Base interactions energy: -510.624 where: short stacking energy: -240.496 Base-Backbone interact. energy: -0.880 local terms energy: -293.247853 where: bonds (distance) C4'-P energy: -66.212 bonds (distance) P-C4' energy: -60.871 flat angles C4'-P-C4' energy: -69.624 flat angles P-C4'-P energy: -40.020 tors. eta vs tors. theta energy: -56.522 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: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -598.810460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.810460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.810460 (E_RNA) where: Base-Base interactions energy: -345.014 where: short stacking energy: -191.390 Base-Backbone interact. energy: 3.192 local terms energy: -256.988579 where: bonds (distance) C4'-P energy: -59.314 bonds (distance) P-C4' energy: -68.173 flat angles C4'-P-C4' energy: -61.599 flat angles P-C4'-P energy: -31.148 tors. eta vs tors. theta energy: -36.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -480.850606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.850606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.850606 (E_RNA) where: Base-Base interactions energy: -274.826 where: short stacking energy: -141.132 Base-Backbone interact. energy: -0.693 local terms energy: -205.331502 where: bonds (distance) C4'-P energy: -48.905 bonds (distance) P-C4' energy: -55.973 flat angles C4'-P-C4' energy: -64.575 flat angles P-C4'-P energy: -21.165 tors. eta vs tors. theta energy: -14.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -511.943126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.943126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.943126 (E_RNA) where: Base-Base interactions energy: -295.335 where: short stacking energy: -159.670 Base-Backbone interact. energy: -0.607 local terms energy: -216.001114 where: bonds (distance) C4'-P energy: -56.563 bonds (distance) P-C4' energy: -59.715 flat angles C4'-P-C4' energy: -44.915 flat angles P-C4'-P energy: -30.235 tors. eta vs tors. theta energy: -24.573 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: 86 Temperature: 1.350000 Total energy: -274.832258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.832258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.832258 (E_RNA) where: Base-Base interactions energy: -90.030 where: short stacking energy: -78.209 Base-Backbone interact. energy: 5.143 local terms energy: -189.945199 where: bonds (distance) C4'-P energy: -48.549 bonds (distance) P-C4' energy: -62.070 flat angles C4'-P-C4' energy: -54.609 flat angles P-C4'-P energy: -32.520 tors. eta vs tors. theta energy: 7.803 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: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1094.844620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.844620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.844620 (E_RNA) where: Base-Base interactions energy: -718.544 where: short stacking energy: -338.829 Base-Backbone interact. energy: -1.256 local terms energy: -375.044478 where: bonds (distance) C4'-P energy: -66.687 bonds (distance) P-C4' energy: -66.731 flat angles C4'-P-C4' energy: -82.707 flat angles P-C4'-P energy: -58.153 tors. eta vs tors. theta energy: -100.767 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: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1045.049384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.049384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.049384 (E_RNA) where: Base-Base interactions energy: -681.272 where: short stacking energy: -336.811 Base-Backbone interact. energy: -1.096 local terms energy: -362.681672 where: bonds (distance) C4'-P energy: -70.408 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -81.090 flat angles P-C4'-P energy: -49.756 tors. eta vs tors. theta energy: -96.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1001.618084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.618084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.618084 (E_RNA) where: Base-Base interactions energy: -653.279 where: short stacking energy: -295.358 Base-Backbone interact. energy: 1.069 local terms energy: -349.408372 where: bonds (distance) C4'-P energy: -69.316 bonds (distance) P-C4' energy: -75.923 flat angles C4'-P-C4' energy: -73.971 flat angles P-C4'-P energy: -45.824 tors. eta vs tors. theta energy: -84.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -924.319590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.319590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.319590 (E_RNA) where: Base-Base interactions energy: -611.352 where: short stacking energy: -302.933 Base-Backbone interact. energy: 0.757 local terms energy: -313.724329 where: bonds (distance) C4'-P energy: -60.647 bonds (distance) P-C4' energy: -64.026 flat angles C4'-P-C4' energy: -65.515 flat angles P-C4'-P energy: -37.011 tors. eta vs tors. theta energy: -86.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -772.446456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.446456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.446456 (E_RNA) where: Base-Base interactions energy: -483.578 where: short stacking energy: -225.989 Base-Backbone interact. energy: 1.795 local terms energy: -290.663106 where: bonds (distance) C4'-P energy: -60.822 bonds (distance) P-C4' energy: -66.326 flat angles C4'-P-C4' energy: -66.505 flat angles P-C4'-P energy: -42.748 tors. eta vs tors. theta energy: -54.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -841.610589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.610589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.610589 (E_RNA) where: Base-Base interactions energy: -541.651 where: short stacking energy: -243.335 Base-Backbone interact. energy: -1.794 local terms energy: -298.165647 where: bonds (distance) C4'-P energy: -53.119 bonds (distance) P-C4' energy: -68.404 flat angles C4'-P-C4' energy: -59.806 flat angles P-C4'-P energy: -45.906 tors. eta vs tors. theta energy: -70.931 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: 3 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -630.613559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.613559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.613559 (E_RNA) where: Base-Base interactions energy: -381.073 where: short stacking energy: -173.755 Base-Backbone interact. energy: -0.251 local terms energy: -249.289419 where: bonds (distance) C4'-P energy: -64.743 bonds (distance) P-C4' energy: -56.942 flat angles C4'-P-C4' energy: -52.182 flat angles P-C4'-P energy: -33.648 tors. eta vs tors. theta energy: -41.775 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: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -533.776578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.776578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.776578 (E_RNA) where: Base-Base interactions energy: -311.751 where: short stacking energy: -148.494 Base-Backbone interact. energy: 2.726 local terms energy: -224.751393 where: bonds (distance) C4'-P energy: -64.407 bonds (distance) P-C4' energy: -58.343 flat angles C4'-P-C4' energy: -47.489 flat angles P-C4'-P energy: -41.592 tors. eta vs tors. theta energy: -12.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -467.679047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.679047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.679047 (E_RNA) where: Base-Base interactions energy: -245.664 where: short stacking energy: -128.501 Base-Backbone interact. energy: 1.868 local terms energy: -223.883310 where: bonds (distance) C4'-P energy: -56.777 bonds (distance) P-C4' energy: -67.505 flat angles C4'-P-C4' energy: -55.849 flat angles P-C4'-P energy: -31.121 tors. eta vs tors. theta energy: -12.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -307.161872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.161872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.161872 (E_RNA) where: Base-Base interactions energy: -102.996 where: short stacking energy: -82.695 Base-Backbone interact. energy: -1.607 local terms energy: -202.558191 where: bonds (distance) C4'-P energy: -57.497 bonds (distance) P-C4' energy: -68.478 flat angles C4'-P-C4' energy: -49.171 flat angles P-C4'-P energy: -32.635 tors. eta vs tors. theta energy: 5.223 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: 1 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1097.203410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.203410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.203410 (E_RNA) where: Base-Base interactions energy: -757.108 where: short stacking energy: -335.672 Base-Backbone interact. energy: -2.682 local terms energy: -337.413383 where: bonds (distance) C4'-P energy: -56.814 bonds (distance) P-C4' energy: -69.362 flat angles C4'-P-C4' energy: -73.815 flat angles P-C4'-P energy: -46.509 tors. eta vs tors. theta energy: -90.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1012.106185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.106185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.106185 (E_RNA) where: Base-Base interactions energy: -664.415 where: short stacking energy: -329.666 Base-Backbone interact. energy: -0.258 local terms energy: -347.432955 where: bonds (distance) C4'-P energy: -70.625 bonds (distance) P-C4' energy: -65.866 flat angles C4'-P-C4' energy: -70.760 flat angles P-C4'-P energy: -58.007 tors. eta vs tors. theta energy: -82.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -980.038466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.038466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.038466 (E_RNA) where: Base-Base interactions energy: -672.374 where: short stacking energy: -309.165 Base-Backbone interact. energy: -0.623 local terms energy: -307.041932 where: bonds (distance) C4'-P energy: -63.672 bonds (distance) P-C4' energy: -59.484 flat angles C4'-P-C4' energy: -63.259 flat angles P-C4'-P energy: -38.767 tors. eta vs tors. theta energy: -81.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -953.696011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.696011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.696011 (E_RNA) where: Base-Base interactions energy: -611.241 where: short stacking energy: -296.667 Base-Backbone interact. energy: 0.046 local terms energy: -342.501174 where: bonds (distance) C4'-P energy: -62.616 bonds (distance) P-C4' energy: -81.368 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -43.989 tors. eta vs tors. theta energy: -85.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -853.220148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.220148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.220148 (E_RNA) where: Base-Base interactions energy: -537.727 where: short stacking energy: -242.504 Base-Backbone interact. energy: -0.132 local terms energy: -315.361310 where: bonds (distance) C4'-P energy: -64.491 bonds (distance) P-C4' energy: -76.115 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -36.059 tors. eta vs tors. theta energy: -69.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -739.956747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.956747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.956747 (E_RNA) where: Base-Base interactions energy: -462.947 where: short stacking energy: -223.553 Base-Backbone interact. energy: -0.370 local terms energy: -276.639619 where: bonds (distance) C4'-P energy: -57.364 bonds (distance) P-C4' energy: -60.179 flat angles C4'-P-C4' energy: -60.608 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: -54.095 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: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -615.501887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.501887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.501887 (E_RNA) where: Base-Base interactions energy: -363.615 where: short stacking energy: -190.856 Base-Backbone interact. energy: -0.372 local terms energy: -251.515511 where: bonds (distance) C4'-P energy: -57.282 bonds (distance) P-C4' energy: -65.703 flat angles C4'-P-C4' energy: -48.335 flat angles P-C4'-P energy: -38.485 tors. eta vs tors. theta energy: -41.711 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: 8, replica: 3 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -540.937555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.937555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.937555 (E_RNA) where: Base-Base interactions energy: -337.086 where: short stacking energy: -175.862 Base-Backbone interact. energy: -0.081 local terms energy: -203.770107 where: bonds (distance) C4'-P energy: -52.932 bonds (distance) P-C4' energy: -45.910 flat angles C4'-P-C4' energy: -54.511 flat angles P-C4'-P energy: -29.447 tors. eta vs tors. theta energy: -20.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -396.839817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.839817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.839817 (E_RNA) where: Base-Base interactions energy: -199.935 where: short stacking energy: -123.951 Base-Backbone interact. energy: -2.347 local terms energy: -194.558127 where: bonds (distance) C4'-P energy: -38.917 bonds (distance) P-C4' energy: -49.893 flat angles C4'-P-C4' energy: -51.061 flat angles P-C4'-P energy: -36.156 tors. eta vs tors. theta energy: -18.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -280.829041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.829041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.829041 (E_RNA) where: Base-Base interactions energy: -108.464 where: short stacking energy: -81.929 Base-Backbone interact. energy: 1.194 local terms energy: -173.558447 where: bonds (distance) C4'-P energy: -51.085 bonds (distance) P-C4' energy: -63.690 flat angles C4'-P-C4' energy: -45.315 flat angles P-C4'-P energy: -30.791 tors. eta vs tors. theta energy: 17.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1096.677677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.677677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.677677 (E_RNA) where: Base-Base interactions energy: -730.431 where: short stacking energy: -334.619 Base-Backbone interact. energy: -4.140 local terms energy: -362.107495 where: bonds (distance) C4'-P energy: -64.915 bonds (distance) P-C4' energy: -70.635 flat angles C4'-P-C4' energy: -82.075 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -95.121 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: 2, replica: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1046.001271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.001271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.001271 (E_RNA) where: Base-Base interactions energy: -697.572 where: short stacking energy: -310.312 Base-Backbone interact. energy: -1.807 local terms energy: -346.622906 where: bonds (distance) C4'-P energy: -68.234 bonds (distance) P-C4' energy: -60.516 flat angles C4'-P-C4' energy: -80.103 flat angles P-C4'-P energy: -47.981 tors. eta vs tors. theta energy: -89.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -971.710041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.710041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.710041 (E_RNA) where: Base-Base interactions energy: -656.304 where: short stacking energy: -297.692 Base-Backbone interact. energy: -1.553 local terms energy: -313.853437 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -62.083 flat angles C4'-P-C4' energy: -75.611 flat angles P-C4'-P energy: -41.042 tors. eta vs tors. theta energy: -72.865 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: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -905.629085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.629085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.629085 (E_RNA) where: Base-Base interactions energy: -604.554 where: short stacking energy: -265.034 Base-Backbone interact. energy: -1.320 local terms energy: -299.754701 where: bonds (distance) C4'-P energy: -54.331 bonds (distance) P-C4' energy: -71.957 flat angles C4'-P-C4' energy: -63.651 flat angles P-C4'-P energy: -46.192 tors. eta vs tors. theta energy: -63.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -896.205356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.205356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.205356 (E_RNA) where: Base-Base interactions energy: -571.919 where: short stacking energy: -298.351 Base-Backbone interact. energy: -0.688 local terms energy: -323.598169 where: bonds (distance) C4'-P energy: -62.889 bonds (distance) P-C4' energy: -62.879 flat angles C4'-P-C4' energy: -62.709 flat angles P-C4'-P energy: -52.026 tors. eta vs tors. theta energy: -83.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -797.354431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.354431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.354431 (E_RNA) where: Base-Base interactions energy: -519.765 where: short stacking energy: -238.260 Base-Backbone interact. energy: -0.458 local terms energy: -277.131312 where: bonds (distance) C4'-P energy: -66.243 bonds (distance) P-C4' energy: -58.713 flat angles C4'-P-C4' energy: -66.240 flat angles P-C4'-P energy: -35.604 tors. eta vs tors. theta energy: -50.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -604.896261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.896261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.896261 (E_RNA) where: Base-Base interactions energy: -341.840 where: short stacking energy: -183.207 Base-Backbone interact. energy: -1.271 local terms energy: -261.785234 where: bonds (distance) C4'-P energy: -57.713 bonds (distance) P-C4' energy: -71.520 flat angles C4'-P-C4' energy: -56.278 flat angles P-C4'-P energy: -43.374 tors. eta vs tors. theta energy: -32.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -579.391364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.391364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.391364 (E_RNA) where: Base-Base interactions energy: -341.297 where: short stacking energy: -168.612 Base-Backbone interact. energy: -2.550 local terms energy: -235.544575 where: bonds (distance) C4'-P energy: -60.301 bonds (distance) P-C4' energy: -62.166 flat angles C4'-P-C4' energy: -50.159 flat angles P-C4'-P energy: -35.629 tors. eta vs tors. theta energy: -27.289 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: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -368.732764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.732764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.732764 (E_RNA) where: Base-Base interactions energy: -149.215 where: short stacking energy: -92.523 Base-Backbone interact. energy: 5.744 local terms energy: -225.261156 where: bonds (distance) C4'-P energy: -53.630 bonds (distance) P-C4' energy: -71.322 flat angles C4'-P-C4' energy: -63.941 flat angles P-C4'-P energy: -31.838 tors. eta vs tors. theta energy: -4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -292.911289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.911289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.911289 (E_RNA) where: Base-Base interactions energy: -108.347 where: short stacking energy: -82.688 Base-Backbone interact. energy: 1.625 local terms energy: -186.189139 where: bonds (distance) C4'-P energy: -56.260 bonds (distance) P-C4' energy: -64.376 flat angles C4'-P-C4' energy: -55.498 flat angles P-C4'-P energy: -15.816 tors. eta vs tors. theta energy: 5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1077.306336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.306336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.306336 (E_RNA) where: Base-Base interactions energy: -729.886 where: short stacking energy: -317.349 Base-Backbone interact. energy: -0.951 local terms energy: -346.469268 where: bonds (distance) C4'-P energy: -62.213 bonds (distance) P-C4' energy: -76.653 flat angles C4'-P-C4' energy: -72.440 flat angles P-C4'-P energy: -53.139 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: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1059.009403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.009403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.009403 (E_RNA) where: Base-Base interactions energy: -695.915 where: short stacking energy: -329.400 Base-Backbone interact. energy: -1.029 local terms energy: -362.065210 where: bonds (distance) C4'-P energy: -67.702 bonds (distance) P-C4' energy: -74.664 flat angles C4'-P-C4' energy: -72.234 flat angles P-C4'-P energy: -51.254 tors. eta vs tors. theta energy: -96.211 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: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -981.091783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.091783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.091783 (E_RNA) where: Base-Base interactions energy: -641.573 where: short stacking energy: -282.121 Base-Backbone interact. energy: 0.023 local terms energy: -339.541670 where: bonds (distance) C4'-P energy: -68.702 bonds (distance) P-C4' energy: -71.850 flat angles C4'-P-C4' energy: -75.152 flat angles P-C4'-P energy: -51.288 tors. eta vs tors. theta energy: -72.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -931.655593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.655593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.655593 (E_RNA) where: Base-Base interactions energy: -609.227 where: short stacking energy: -274.116 Base-Backbone interact. energy: -2.212 local terms energy: -320.216532 where: bonds (distance) C4'-P energy: -71.864 bonds (distance) P-C4' energy: -73.319 flat angles C4'-P-C4' energy: -66.141 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: -71.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -878.294751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.294751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.294751 (E_RNA) where: Base-Base interactions energy: -581.349 where: short stacking energy: -281.254 Base-Backbone interact. energy: 0.143 local terms energy: -297.089031 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -67.691 flat angles C4'-P-C4' energy: -72.236 flat angles P-C4'-P energy: -31.176 tors. eta vs tors. theta energy: -70.590 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: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -782.583128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.583128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.583128 (E_RNA) where: Base-Base interactions energy: -490.164 where: short stacking energy: -235.294 Base-Backbone interact. energy: -1.583 local terms energy: -290.835986 where: bonds (distance) C4'-P energy: -59.230 bonds (distance) P-C4' energy: -70.006 flat angles C4'-P-C4' energy: -64.476 flat angles P-C4'-P energy: -39.053 tors. eta vs tors. theta energy: -58.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -617.031549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.031549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.031549 (E_RNA) where: Base-Base interactions energy: -366.930 where: short stacking energy: -183.216 Base-Backbone interact. energy: 5.628 local terms energy: -255.729887 where: bonds (distance) C4'-P energy: -59.824 bonds (distance) P-C4' energy: -59.232 flat angles C4'-P-C4' energy: -57.324 flat angles P-C4'-P energy: -37.653 tors. eta vs tors. theta energy: -41.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -586.289730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.289730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.289730 (E_RNA) where: Base-Base interactions energy: -342.256 where: short stacking energy: -167.090 Base-Backbone interact. energy: -0.795 local terms energy: -243.238448 where: bonds (distance) C4'-P energy: -62.597 bonds (distance) P-C4' energy: -63.575 flat angles C4'-P-C4' energy: -53.475 flat angles P-C4'-P energy: -34.686 tors. eta vs tors. theta energy: -28.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -369.834896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.834896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.834896 (E_RNA) where: Base-Base interactions energy: -158.111 where: short stacking energy: -93.217 Base-Backbone interact. energy: -0.631 local terms energy: -211.093295 where: bonds (distance) C4'-P energy: -65.967 bonds (distance) P-C4' energy: -61.013 flat angles C4'-P-C4' energy: -48.302 flat angles P-C4'-P energy: -31.007 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -278.181778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.181778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.181778 (E_RNA) where: Base-Base interactions energy: -103.945 where: short stacking energy: -100.642 Base-Backbone interact. energy: -2.157 local terms energy: -172.079157 where: bonds (distance) C4'-P energy: -50.243 bonds (distance) P-C4' energy: -45.620 flat angles C4'-P-C4' energy: -52.362 flat angles P-C4'-P energy: -23.737 tors. eta vs tors. theta energy: -0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1067.339569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.339569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.339569 (E_RNA) where: Base-Base interactions energy: -702.473 where: short stacking energy: -321.992 Base-Backbone interact. energy: -1.221 local terms energy: -363.645714 where: bonds (distance) C4'-P energy: -74.113 bonds (distance) P-C4' energy: -80.537 flat angles C4'-P-C4' energy: -72.027 flat angles P-C4'-P energy: -51.644 tors. eta vs tors. theta energy: -85.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1045.717845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.717845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.717845 (E_RNA) where: Base-Base interactions energy: -694.200 where: short stacking energy: -314.320 Base-Backbone interact. energy: -1.448 local terms energy: -350.070222 where: bonds (distance) C4'-P energy: -65.422 bonds (distance) P-C4' energy: -78.122 flat angles C4'-P-C4' energy: -74.971 flat angles P-C4'-P energy: -46.196 tors. eta vs tors. theta energy: -85.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -977.333267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.333267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.333267 (E_RNA) where: Base-Base interactions energy: -651.605 where: short stacking energy: -294.661 Base-Backbone interact. energy: -1.778 local terms energy: -323.950503 where: bonds (distance) C4'-P energy: -52.996 bonds (distance) P-C4' energy: -63.338 flat angles C4'-P-C4' energy: -71.252 flat angles P-C4'-P energy: -50.552 tors. eta vs tors. theta energy: -85.812 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: 91 Temperature: 1.050000 Total energy: -898.767973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.767973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.767973 (E_RNA) where: Base-Base interactions energy: -565.229 where: short stacking energy: -271.238 Base-Backbone interact. energy: -1.724 local terms energy: -331.814321 where: bonds (distance) C4'-P energy: -74.331 bonds (distance) P-C4' energy: -66.375 flat angles C4'-P-C4' energy: -76.262 flat angles P-C4'-P energy: -39.180 tors. eta vs tors. theta energy: -75.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -905.669590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.669590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.669590 (E_RNA) where: Base-Base interactions energy: -600.649 where: short stacking energy: -280.685 Base-Backbone interact. energy: 0.252 local terms energy: -305.272420 where: bonds (distance) C4'-P energy: -64.987 bonds (distance) P-C4' energy: -64.756 flat angles C4'-P-C4' energy: -68.344 flat angles P-C4'-P energy: -43.076 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: 6, replica: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -805.800173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.800173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.800173 (E_RNA) where: Base-Base interactions energy: -491.851 where: short stacking energy: -230.804 Base-Backbone interact. energy: 1.604 local terms energy: -315.552947 where: bonds (distance) C4'-P energy: -59.553 bonds (distance) P-C4' energy: -63.571 flat angles C4'-P-C4' energy: -68.181 flat angles P-C4'-P energy: -53.557 tors. eta vs tors. theta energy: -70.691 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: 91 Temperature: 1.200000 Total energy: -625.675783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.675783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.675783 (E_RNA) where: Base-Base interactions energy: -376.666 where: short stacking energy: -195.269 Base-Backbone interact. energy: 0.100 local terms energy: -249.109442 where: bonds (distance) C4'-P energy: -61.274 bonds (distance) P-C4' energy: -55.483 flat angles C4'-P-C4' energy: -58.135 flat angles P-C4'-P energy: -41.882 tors. eta vs tors. theta energy: -32.336 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: 3 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -621.395533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.395533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.395533 (E_RNA) where: Base-Base interactions energy: -360.482 where: short stacking energy: -172.286 Base-Backbone interact. energy: -0.533 local terms energy: -260.380791 where: bonds (distance) C4'-P energy: -65.608 bonds (distance) P-C4' energy: -58.676 flat angles C4'-P-C4' energy: -65.610 flat angles P-C4'-P energy: -38.933 tors. eta vs tors. theta energy: -31.553 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: 91 Temperature: 1.300000 Total energy: -320.787376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.787376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.787376 (E_RNA) where: Base-Base interactions energy: -128.845 where: short stacking energy: -118.271 Base-Backbone interact. energy: 1.533 local terms energy: -193.475837 where: bonds (distance) C4'-P energy: -44.507 bonds (distance) P-C4' energy: -60.750 flat angles C4'-P-C4' energy: -59.741 flat angles P-C4'-P energy: -28.423 tors. eta vs tors. theta energy: -0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -283.347605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.347605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.347605 (E_RNA) where: Base-Base interactions energy: -93.704 where: short stacking energy: -73.784 Base-Backbone interact. energy: 0.331 local terms energy: -189.974569 where: bonds (distance) C4'-P energy: -47.705 bonds (distance) P-C4' energy: -59.798 flat angles C4'-P-C4' energy: -56.244 flat angles P-C4'-P energy: -23.759 tors. eta vs tors. theta energy: -2.469 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: 92 Temperature: 0.900000 Total energy: -1059.393081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.393081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.393081 (E_RNA) where: Base-Base interactions energy: -708.983 where: short stacking energy: -330.375 Base-Backbone interact. energy: -0.722 local terms energy: -349.687438 where: bonds (distance) C4'-P energy: -63.395 bonds (distance) P-C4' energy: -65.337 flat angles C4'-P-C4' energy: -80.279 flat angles P-C4'-P energy: -53.573 tors. eta vs tors. theta energy: -87.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1043.493047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.493047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.493047 (E_RNA) where: Base-Base interactions energy: -709.883 where: short stacking energy: -314.795 Base-Backbone interact. energy: -3.164 local terms energy: -330.446121 where: bonds (distance) C4'-P energy: -61.910 bonds (distance) P-C4' energy: -62.024 flat angles C4'-P-C4' energy: -75.684 flat angles P-C4'-P energy: -48.818 tors. eta vs tors. theta energy: -82.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -998.800945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.800945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.800945 (E_RNA) where: Base-Base interactions energy: -651.302 where: short stacking energy: -309.167 Base-Backbone interact. energy: -1.452 local terms energy: -346.047752 where: bonds (distance) C4'-P energy: -70.552 bonds (distance) P-C4' energy: -74.081 flat angles C4'-P-C4' energy: -73.215 flat angles P-C4'-P energy: -41.461 tors. eta vs tors. theta energy: -86.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -925.350345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.350345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.350345 (E_RNA) where: Base-Base interactions energy: -596.708 where: short stacking energy: -294.318 Base-Backbone interact. energy: -1.285 local terms energy: -327.357154 where: bonds (distance) C4'-P energy: -61.220 bonds (distance) P-C4' energy: -67.477 flat angles C4'-P-C4' energy: -80.315 flat angles P-C4'-P energy: -36.836 tors. eta vs tors. theta energy: -81.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -881.152806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.152806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.152806 (E_RNA) where: Base-Base interactions energy: -593.800 where: short stacking energy: -266.590 Base-Backbone interact. energy: -2.163 local terms energy: -285.189438 where: bonds (distance) C4'-P energy: -58.806 bonds (distance) P-C4' energy: -63.500 flat angles C4'-P-C4' energy: -68.842 flat angles P-C4'-P energy: -33.089 tors. eta vs tors. theta energy: -60.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -798.659817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.659817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.659817 (E_RNA) where: Base-Base interactions energy: -524.087 where: short stacking energy: -266.904 Base-Backbone interact. energy: -1.214 local terms energy: -273.359322 where: bonds (distance) C4'-P energy: -55.842 bonds (distance) P-C4' energy: -43.684 flat angles C4'-P-C4' energy: -70.054 flat angles P-C4'-P energy: -38.495 tors. eta vs tors. theta energy: -65.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -671.382007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.382007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.382007 (E_RNA) where: Base-Base interactions energy: -408.286 where: short stacking energy: -192.439 Base-Backbone interact. energy: -1.089 local terms energy: -262.006633 where: bonds (distance) C4'-P energy: -65.325 bonds (distance) P-C4' energy: -53.972 flat angles C4'-P-C4' energy: -63.712 flat angles P-C4'-P energy: -39.316 tors. eta vs tors. theta energy: -39.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -546.892895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.892895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.892895 (E_RNA) where: Base-Base interactions energy: -323.352 where: short stacking energy: -166.627 Base-Backbone interact. energy: -0.674 local terms energy: -222.867480 where: bonds (distance) C4'-P energy: -48.036 bonds (distance) P-C4' energy: -59.841 flat angles C4'-P-C4' energy: -59.511 flat angles P-C4'-P energy: -22.536 tors. eta vs tors. theta energy: -32.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -286.822686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.822686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.822686 (E_RNA) where: Base-Base interactions energy: -92.752 where: short stacking energy: -81.746 Base-Backbone interact. energy: 0.293 local terms energy: -194.363441 where: bonds (distance) C4'-P energy: -65.571 bonds (distance) P-C4' energy: -57.142 flat angles C4'-P-C4' energy: -41.317 flat angles P-C4'-P energy: -39.305 tors. eta vs tors. theta energy: 8.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -308.077159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.077159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.077159 (E_RNA) where: Base-Base interactions energy: -124.874 where: short stacking energy: -93.600 Base-Backbone interact. energy: -0.330 local terms energy: -182.873822 where: bonds (distance) C4'-P energy: -47.779 bonds (distance) P-C4' energy: -66.404 flat angles C4'-P-C4' energy: -53.456 flat angles P-C4'-P energy: -19.102 tors. eta vs tors. theta energy: 3.867 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: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1067.649787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.649787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.649787 (E_RNA) where: Base-Base interactions energy: -702.378 where: short stacking energy: -326.614 Base-Backbone interact. energy: 2.061 local terms energy: -367.332546 where: bonds (distance) C4'-P energy: -70.672 bonds (distance) P-C4' energy: -69.517 flat angles C4'-P-C4' energy: -78.006 flat angles P-C4'-P energy: -53.568 tors. eta vs tors. theta energy: -95.570 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: 93 Temperature: 0.950000 Total energy: -1057.360203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.360203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.360203 (E_RNA) where: Base-Base interactions energy: -717.651 where: short stacking energy: -313.176 Base-Backbone interact. energy: -1.257 local terms energy: -338.451282 where: bonds (distance) C4'-P energy: -57.422 bonds (distance) P-C4' energy: -68.269 flat angles C4'-P-C4' energy: -79.381 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: -84.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -983.663558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.663558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.663558 (E_RNA) where: Base-Base interactions energy: -653.783 where: short stacking energy: -307.261 Base-Backbone interact. energy: -1.018 local terms energy: -328.862889 where: bonds (distance) C4'-P energy: -67.484 bonds (distance) P-C4' energy: -61.748 flat angles C4'-P-C4' energy: -68.092 flat angles P-C4'-P energy: -44.409 tors. eta vs tors. theta energy: -87.130 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: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -921.807437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.807437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.807437 (E_RNA) where: Base-Base interactions energy: -614.390 where: short stacking energy: -268.179 Base-Backbone interact. energy: 2.906 local terms energy: -310.324093 where: bonds (distance) C4'-P energy: -61.445 bonds (distance) P-C4' energy: -58.288 flat angles C4'-P-C4' energy: -71.697 flat angles P-C4'-P energy: -42.859 tors. eta vs tors. theta energy: -76.035 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: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -865.472358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.472358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.472358 (E_RNA) where: Base-Base interactions energy: -550.084 where: short stacking energy: -278.125 Base-Backbone interact. energy: -0.729 local terms energy: -314.659023 where: bonds (distance) C4'-P energy: -64.898 bonds (distance) P-C4' energy: -58.441 flat angles C4'-P-C4' energy: -65.244 flat angles P-C4'-P energy: -50.888 tors. eta vs tors. theta energy: -75.188 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: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -833.440898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.440898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.440898 (E_RNA) where: Base-Base interactions energy: -537.798 where: short stacking energy: -253.533 Base-Backbone interact. energy: -1.212 local terms energy: -294.431022 where: bonds (distance) C4'-P energy: -63.147 bonds (distance) P-C4' energy: -60.163 flat angles C4'-P-C4' energy: -70.313 flat angles P-C4'-P energy: -36.941 tors. eta vs tors. theta energy: -63.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -713.760968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.760968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.760968 (E_RNA) where: Base-Base interactions energy: -431.956 where: short stacking energy: -221.817 Base-Backbone interact. energy: 4.559 local terms energy: -286.363828 where: bonds (distance) C4'-P energy: -50.456 bonds (distance) P-C4' energy: -70.658 flat angles C4'-P-C4' energy: -73.213 flat angles P-C4'-P energy: -43.327 tors. eta vs tors. theta energy: -48.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -602.835908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.835908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.835908 (E_RNA) where: Base-Base interactions energy: -346.234 where: short stacking energy: -162.665 Base-Backbone interact. energy: -0.468 local terms energy: -256.134189 where: bonds (distance) C4'-P energy: -54.631 bonds (distance) P-C4' energy: -66.658 flat angles C4'-P-C4' energy: -61.792 flat angles P-C4'-P energy: -35.584 tors. eta vs tors. theta energy: -37.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -312.831840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.831840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.831840 (E_RNA) where: Base-Base interactions energy: -108.233 where: short stacking energy: -99.165 Base-Backbone interact. energy: 0.105 local terms energy: -204.704096 where: bonds (distance) C4'-P energy: -64.107 bonds (distance) P-C4' energy: -51.736 flat angles C4'-P-C4' energy: -44.300 flat angles P-C4'-P energy: -39.078 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -267.707898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.707898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.707898 (E_RNA) where: Base-Base interactions energy: -86.509 where: short stacking energy: -58.295 Base-Backbone interact. energy: -0.513 local terms energy: -180.685940 where: bonds (distance) C4'-P energy: -50.822 bonds (distance) P-C4' energy: -52.528 flat angles C4'-P-C4' energy: -63.420 flat angles P-C4'-P energy: -30.243 tors. eta vs tors. theta energy: 16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1096.577322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.577322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.577322 (E_RNA) where: Base-Base interactions energy: -735.058 where: short stacking energy: -332.921 Base-Backbone interact. energy: -2.612 local terms energy: -358.906793 where: bonds (distance) C4'-P energy: -66.344 bonds (distance) P-C4' energy: -69.929 flat angles C4'-P-C4' energy: -74.432 flat angles P-C4'-P energy: -53.582 tors. eta vs tors. theta energy: -94.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1048.056882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.056882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.056882 (E_RNA) where: Base-Base interactions energy: -692.439 where: short stacking energy: -322.130 Base-Backbone interact. energy: -1.744 local terms energy: -353.873844 where: bonds (distance) C4'-P energy: -65.533 bonds (distance) P-C4' energy: -73.686 flat angles C4'-P-C4' energy: -72.998 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -87.440 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: 9 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -973.952309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.952309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.952309 (E_RNA) where: Base-Base interactions energy: -641.096 where: short stacking energy: -292.079 Base-Backbone interact. energy: -1.103 local terms energy: -331.753619 where: bonds (distance) C4'-P energy: -63.058 bonds (distance) P-C4' energy: -67.407 flat angles C4'-P-C4' energy: -79.255 flat angles P-C4'-P energy: -46.693 tors. eta vs tors. theta energy: -75.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -913.655070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.655070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.655070 (E_RNA) where: Base-Base interactions energy: -608.529 where: short stacking energy: -275.338 Base-Backbone interact. energy: -0.319 local terms energy: -304.807773 where: bonds (distance) C4'-P energy: -52.797 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -62.952 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: -77.893 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: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -848.441309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.441309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.441309 (E_RNA) where: Base-Base interactions energy: -547.699 where: short stacking energy: -276.041 Base-Backbone interact. energy: -0.428 local terms energy: -300.315135 where: bonds (distance) C4'-P energy: -49.911 bonds (distance) P-C4' energy: -61.828 flat angles C4'-P-C4' energy: -65.110 flat angles P-C4'-P energy: -47.035 tors. eta vs tors. theta energy: -76.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -798.947631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.947631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.947631 (E_RNA) where: Base-Base interactions energy: -523.060 where: short stacking energy: -233.912 Base-Backbone interact. energy: -0.870 local terms energy: -275.017796 where: bonds (distance) C4'-P energy: -63.052 bonds (distance) P-C4' energy: -63.549 flat angles C4'-P-C4' energy: -49.748 flat angles P-C4'-P energy: -41.917 tors. eta vs tors. theta energy: -56.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -705.718091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.718091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.718091 (E_RNA) where: Base-Base interactions energy: -462.976 where: short stacking energy: -214.092 Base-Backbone interact. energy: -2.229 local terms energy: -240.513001 where: bonds (distance) C4'-P energy: -49.229 bonds (distance) P-C4' energy: -58.424 flat angles C4'-P-C4' energy: -58.455 flat angles P-C4'-P energy: -27.599 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: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -550.842313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.842313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.842313 (E_RNA) where: Base-Base interactions energy: -305.467 where: short stacking energy: -157.501 Base-Backbone interact. energy: 0.167 local terms energy: -245.542261 where: bonds (distance) C4'-P energy: -70.222 bonds (distance) P-C4' energy: -57.018 flat angles C4'-P-C4' energy: -56.671 flat angles P-C4'-P energy: -35.771 tors. eta vs tors. theta energy: -25.861 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: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -372.895137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.895137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.895137 (E_RNA) where: Base-Base interactions energy: -149.217 where: short stacking energy: -107.147 Base-Backbone interact. energy: -1.188 local terms energy: -222.490258 where: bonds (distance) C4'-P energy: -59.920 bonds (distance) P-C4' energy: -58.575 flat angles C4'-P-C4' energy: -63.713 flat angles P-C4'-P energy: -31.035 tors. eta vs tors. theta energy: -9.247 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: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -312.435681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.435681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.435681 (E_RNA) where: Base-Base interactions energy: -110.682 where: short stacking energy: -101.837 Base-Backbone interact. energy: -0.400 local terms energy: -201.353493 where: bonds (distance) C4'-P energy: -61.218 bonds (distance) P-C4' energy: -54.060 flat angles C4'-P-C4' energy: -48.280 flat angles P-C4'-P energy: -35.708 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1087.851373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.851373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.851373 (E_RNA) where: Base-Base interactions energy: -722.632 where: short stacking energy: -318.066 Base-Backbone interact. energy: -3.096 local terms energy: -362.123030 where: bonds (distance) C4'-P energy: -66.985 bonds (distance) P-C4' energy: -71.165 flat angles C4'-P-C4' energy: -79.695 flat angles P-C4'-P energy: -58.916 tors. eta vs tors. theta energy: -85.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1034.209335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.209335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.209335 (E_RNA) where: Base-Base interactions energy: -691.197 where: short stacking energy: -333.307 Base-Backbone interact. energy: 0.223 local terms energy: -343.234868 where: bonds (distance) C4'-P energy: -69.394 bonds (distance) P-C4' energy: -65.733 flat angles C4'-P-C4' energy: -72.303 flat angles P-C4'-P energy: -42.771 tors. eta vs tors. theta energy: -93.033 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: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -988.156731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.156731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.156731 (E_RNA) where: Base-Base interactions energy: -653.294 where: short stacking energy: -288.568 Base-Backbone interact. energy: -2.976 local terms energy: -331.886219 where: bonds (distance) C4'-P energy: -62.139 bonds (distance) P-C4' energy: -71.745 flat angles C4'-P-C4' energy: -73.175 flat angles P-C4'-P energy: -42.601 tors. eta vs tors. theta energy: -82.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -932.001527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.001527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.001527 (E_RNA) where: Base-Base interactions energy: -604.601 where: short stacking energy: -285.034 Base-Backbone interact. energy: -1.147 local terms energy: -326.253473 where: bonds (distance) C4'-P energy: -63.352 bonds (distance) P-C4' energy: -69.060 flat angles C4'-P-C4' energy: -70.024 flat angles P-C4'-P energy: -41.200 tors. eta vs tors. theta energy: -82.618 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: 5, replica: 4 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -811.832402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.832402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.832402 (E_RNA) where: Base-Base interactions energy: -514.673 where: short stacking energy: -247.416 Base-Backbone interact. energy: -0.477 local terms energy: -296.682171 where: bonds (distance) C4'-P energy: -59.198 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -64.630 flat angles P-C4'-P energy: -48.329 tors. eta vs tors. theta energy: -58.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -848.322349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.322349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.322349 (E_RNA) where: Base-Base interactions energy: -549.939 where: short stacking energy: -232.345 Base-Backbone interact. energy: -0.025 local terms energy: -298.358500 where: bonds (distance) C4'-P energy: -53.530 bonds (distance) P-C4' energy: -70.183 flat angles C4'-P-C4' energy: -62.119 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -67.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -735.740731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.740731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.740731 (E_RNA) where: Base-Base interactions energy: -477.013 where: short stacking energy: -229.263 Base-Backbone interact. energy: -1.680 local terms energy: -257.048209 where: bonds (distance) C4'-P energy: -46.059 bonds (distance) P-C4' energy: -65.491 flat angles C4'-P-C4' energy: -56.254 flat angles P-C4'-P energy: -46.902 tors. eta vs tors. theta energy: -42.341 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: 95 Temperature: 1.250000 Total energy: -570.142409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.142409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.142409 (E_RNA) where: Base-Base interactions energy: -339.292 where: short stacking energy: -172.999 Base-Backbone interact. energy: -0.034 local terms energy: -230.816838 where: bonds (distance) C4'-P energy: -54.621 bonds (distance) P-C4' energy: -59.370 flat angles C4'-P-C4' energy: -50.994 flat angles P-C4'-P energy: -40.420 tors. eta vs tors. theta energy: -25.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -353.327958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.327958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.327958 (E_RNA) where: Base-Base interactions energy: -135.366 where: short stacking energy: -107.043 Base-Backbone interact. energy: 4.609 local terms energy: -222.571168 where: bonds (distance) C4'-P energy: -64.656 bonds (distance) P-C4' energy: -68.937 flat angles C4'-P-C4' energy: -55.440 flat angles P-C4'-P energy: -22.260 tors. eta vs tors. theta energy: -11.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -289.524330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.524330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.524330 (E_RNA) where: Base-Base interactions energy: -110.556 where: short stacking energy: -109.535 Base-Backbone interact. energy: -0.960 local terms energy: -178.007770 where: bonds (distance) C4'-P energy: -51.462 bonds (distance) P-C4' energy: -67.714 flat angles C4'-P-C4' energy: -45.975 flat angles P-C4'-P energy: -14.269 tors. eta vs tors. theta energy: 1.413 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: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1091.062879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.062879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.062879 (E_RNA) where: Base-Base interactions energy: -741.681 where: short stacking energy: -346.062 Base-Backbone interact. energy: -3.620 local terms energy: -345.762071 where: bonds (distance) C4'-P energy: -69.010 bonds (distance) P-C4' energy: -60.517 flat angles C4'-P-C4' energy: -80.543 flat angles P-C4'-P energy: -48.067 tors. eta vs tors. theta energy: -87.625 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: 96 Temperature: 0.950000 Total energy: -1025.188651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.188651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.188651 (E_RNA) where: Base-Base interactions energy: -675.288 where: short stacking energy: -309.943 Base-Backbone interact. energy: -1.200 local terms energy: -348.700678 where: bonds (distance) C4'-P energy: -70.370 bonds (distance) P-C4' energy: -78.401 flat angles C4'-P-C4' energy: -69.834 flat angles P-C4'-P energy: -43.900 tors. eta vs tors. theta energy: -86.196 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: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -964.083915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.083915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.083915 (E_RNA) where: Base-Base interactions energy: -632.990 where: short stacking energy: -301.566 Base-Backbone interact. energy: -1.575 local terms energy: -329.519067 where: bonds (distance) C4'-P energy: -68.910 bonds (distance) P-C4' energy: -59.980 flat angles C4'-P-C4' energy: -75.464 flat angles P-C4'-P energy: -45.726 tors. eta vs tors. theta energy: -79.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -949.966929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.966929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.966929 (E_RNA) where: Base-Base interactions energy: -616.829 where: short stacking energy: -296.939 Base-Backbone interact. energy: -0.253 local terms energy: -332.885237 where: bonds (distance) C4'-P energy: -71.599 bonds (distance) P-C4' energy: -70.870 flat angles C4'-P-C4' energy: -62.151 flat angles P-C4'-P energy: -45.088 tors. eta vs tors. theta energy: -83.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -840.275003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.275003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.275003 (E_RNA) where: Base-Base interactions energy: -534.516 where: short stacking energy: -253.054 Base-Backbone interact. energy: -1.875 local terms energy: -303.884530 where: bonds (distance) C4'-P energy: -57.873 bonds (distance) P-C4' energy: -67.773 flat angles C4'-P-C4' energy: -65.281 flat angles P-C4'-P energy: -42.911 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: 6, replica: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -833.532753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.532753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.532753 (E_RNA) where: Base-Base interactions energy: -541.861 where: short stacking energy: -273.991 Base-Backbone interact. energy: -0.762 local terms energy: -290.909659 where: bonds (distance) C4'-P energy: -47.405 bonds (distance) P-C4' energy: -58.487 flat angles C4'-P-C4' energy: -72.148 flat angles P-C4'-P energy: -32.260 tors. eta vs tors. theta energy: -80.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -741.291393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.291393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.291393 (E_RNA) where: Base-Base interactions energy: -442.158 where: short stacking energy: -224.776 Base-Backbone interact. energy: -1.915 local terms energy: -297.218571 where: bonds (distance) C4'-P energy: -66.240 bonds (distance) P-C4' energy: -61.199 flat angles C4'-P-C4' energy: -67.089 flat angles P-C4'-P energy: -45.108 tors. eta vs tors. theta energy: -57.583 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: 96 Temperature: 1.250000 Total energy: -537.626531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.626531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.626531 (E_RNA) where: Base-Base interactions energy: -309.896 where: short stacking energy: -167.345 Base-Backbone interact. energy: 0.560 local terms energy: -228.290945 where: bonds (distance) C4'-P energy: -67.998 bonds (distance) P-C4' energy: -55.048 flat angles C4'-P-C4' energy: -53.786 flat angles P-C4'-P energy: -12.716 tors. eta vs tors. theta energy: -38.744 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: 96 Temperature: 1.300000 Total energy: -307.115051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.115051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.115051 (E_RNA) where: Base-Base interactions energy: -114.855 where: short stacking energy: -95.635 Base-Backbone interact. energy: -0.495 local terms energy: -191.765570 where: bonds (distance) C4'-P energy: -57.811 bonds (distance) P-C4' energy: -55.147 flat angles C4'-P-C4' energy: -62.984 flat angles P-C4'-P energy: -16.817 tors. eta vs tors. theta energy: 0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -292.362187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.362187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.362187 (E_RNA) where: Base-Base interactions energy: -95.488 where: short stacking energy: -76.389 Base-Backbone interact. energy: 2.684 local terms energy: -199.558872 where: bonds (distance) C4'-P energy: -50.422 bonds (distance) P-C4' energy: -63.235 flat angles C4'-P-C4' energy: -59.430 flat angles P-C4'-P energy: -27.334 tors. eta vs tors. theta energy: 0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1124.838572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.838572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.838572 (E_RNA) where: Base-Base interactions energy: -745.974 where: short stacking energy: -350.528 Base-Backbone interact. energy: -4.076 local terms energy: -374.789082 where: bonds (distance) C4'-P energy: -69.519 bonds (distance) P-C4' energy: -64.925 flat angles C4'-P-C4' energy: -88.207 flat angles P-C4'-P energy: -49.347 tors. eta vs tors. theta energy: -102.792 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: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1019.072336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.072336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.072336 (E_RNA) where: Base-Base interactions energy: -677.194 where: short stacking energy: -323.882 Base-Backbone interact. energy: 0.764 local terms energy: -342.642405 where: bonds (distance) C4'-P energy: -65.357 bonds (distance) P-C4' energy: -73.021 flat angles C4'-P-C4' energy: -69.386 flat angles P-C4'-P energy: -51.800 tors. eta vs tors. theta energy: -83.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -961.563227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.563227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.563227 (E_RNA) where: Base-Base interactions energy: -642.836 where: short stacking energy: -294.210 Base-Backbone interact. energy: -1.549 local terms energy: -317.179148 where: bonds (distance) C4'-P energy: -51.572 bonds (distance) P-C4' energy: -65.797 flat angles C4'-P-C4' energy: -67.362 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: -87.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -945.653267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.653267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.653267 (E_RNA) where: Base-Base interactions energy: -613.898 where: short stacking energy: -287.268 Base-Backbone interact. energy: -2.552 local terms energy: -329.202499 where: bonds (distance) C4'-P energy: -65.546 bonds (distance) P-C4' energy: -65.567 flat angles C4'-P-C4' energy: -67.520 flat angles P-C4'-P energy: -51.129 tors. eta vs tors. theta energy: -79.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -864.211066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.211066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.211066 (E_RNA) where: Base-Base interactions energy: -559.257 where: short stacking energy: -258.951 Base-Backbone interact. energy: 5.042 local terms energy: -309.996104 where: bonds (distance) C4'-P energy: -66.839 bonds (distance) P-C4' energy: -68.360 flat angles C4'-P-C4' energy: -61.664 flat angles P-C4'-P energy: -41.552 tors. eta vs tors. theta energy: -71.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -791.205156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.205156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.205156 (E_RNA) where: Base-Base interactions energy: -523.423 where: short stacking energy: -252.932 Base-Backbone interact. energy: -1.847 local terms energy: -265.935976 where: bonds (distance) C4'-P energy: -44.011 bonds (distance) P-C4' energy: -59.980 flat angles C4'-P-C4' energy: -60.077 flat angles P-C4'-P energy: -45.831 tors. eta vs tors. theta energy: -56.037 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: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -700.733617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.733617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.733617 (E_RNA) where: Base-Base interactions energy: -415.146 where: short stacking energy: -188.665 Base-Backbone interact. energy: -1.387 local terms energy: -284.200174 where: bonds (distance) C4'-P energy: -53.231 bonds (distance) P-C4' energy: -73.829 flat angles C4'-P-C4' energy: -79.477 flat angles P-C4'-P energy: -36.349 tors. eta vs tors. theta energy: -41.315 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: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -571.093123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.093123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.093123 (E_RNA) where: Base-Base interactions energy: -334.222 where: short stacking energy: -179.040 Base-Backbone interact. energy: 7.730 local terms energy: -244.601548 where: bonds (distance) C4'-P energy: -52.280 bonds (distance) P-C4' energy: -62.908 flat angles C4'-P-C4' energy: -60.227 flat angles P-C4'-P energy: -43.067 tors. eta vs tors. theta energy: -26.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -321.064114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.064114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.064114 (E_RNA) where: Base-Base interactions energy: -108.491 where: short stacking energy: -105.512 Base-Backbone interact. energy: -0.735 local terms energy: -211.838035 where: bonds (distance) C4'-P energy: -64.326 bonds (distance) P-C4' energy: -55.034 flat angles C4'-P-C4' energy: -58.241 flat angles P-C4'-P energy: -32.318 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: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -301.392541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.392541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.392541 (E_RNA) where: Base-Base interactions energy: -98.616 where: short stacking energy: -88.042 Base-Backbone interact. energy: -0.830 local terms energy: -201.946864 where: bonds (distance) C4'-P energy: -56.268 bonds (distance) P-C4' energy: -70.325 flat angles C4'-P-C4' energy: -55.740 flat angles P-C4'-P energy: -24.576 tors. eta vs tors. theta energy: 4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1107.208306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.208306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.208306 (E_RNA) where: Base-Base interactions energy: -768.729 where: short stacking energy: -354.563 Base-Backbone interact. energy: -0.942 local terms energy: -337.536616 where: bonds (distance) C4'-P energy: -55.443 bonds (distance) P-C4' energy: -54.145 flat angles C4'-P-C4' energy: -82.424 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: -93.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1058.650957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.650957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.650957 (E_RNA) where: Base-Base interactions energy: -705.874 where: short stacking energy: -331.993 Base-Backbone interact. energy: -1.120 local terms energy: -351.656426 where: bonds (distance) C4'-P energy: -67.602 bonds (distance) P-C4' energy: -66.834 flat angles C4'-P-C4' energy: -77.400 flat angles P-C4'-P energy: -48.872 tors. eta vs tors. theta energy: -90.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -975.285482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.285482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.285482 (E_RNA) where: Base-Base interactions energy: -652.225 where: short stacking energy: -300.742 Base-Backbone interact. energy: -1.792 local terms energy: -321.268209 where: bonds (distance) C4'-P energy: -56.165 bonds (distance) P-C4' energy: -72.310 flat angles C4'-P-C4' energy: -70.756 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: -72.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -931.888441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.888441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.888441 (E_RNA) where: Base-Base interactions energy: -602.061 where: short stacking energy: -275.969 Base-Backbone interact. energy: 0.917 local terms energy: -330.744492 where: bonds (distance) C4'-P energy: -62.866 bonds (distance) P-C4' energy: -67.349 flat angles C4'-P-C4' energy: -75.744 flat angles P-C4'-P energy: -44.336 tors. eta vs tors. theta energy: -80.449 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: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -877.614248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.614248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.614248 (E_RNA) where: Base-Base interactions energy: -576.398 where: short stacking energy: -280.985 Base-Backbone interact. energy: 0.237 local terms energy: -301.453669 where: bonds (distance) C4'-P energy: -59.323 bonds (distance) P-C4' energy: -66.577 flat angles C4'-P-C4' energy: -59.850 flat angles P-C4'-P energy: -39.516 tors. eta vs tors. theta energy: -76.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -820.506624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.506624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.506624 (E_RNA) where: Base-Base interactions energy: -542.733 where: short stacking energy: -250.878 Base-Backbone interact. energy: 4.551 local terms energy: -282.324770 where: bonds (distance) C4'-P energy: -60.734 bonds (distance) P-C4' energy: -54.199 flat angles C4'-P-C4' energy: -64.282 flat angles P-C4'-P energy: -39.718 tors. eta vs tors. theta energy: -63.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -675.184053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.184053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.184053 (E_RNA) where: Base-Base interactions energy: -416.869 where: short stacking energy: -191.975 Base-Backbone interact. energy: -1.039 local terms energy: -257.276300 where: bonds (distance) C4'-P energy: -56.509 bonds (distance) P-C4' energy: -61.698 flat angles C4'-P-C4' energy: -57.935 flat angles P-C4'-P energy: -43.493 tors. eta vs tors. theta energy: -37.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -552.682234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.682234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.682234 (E_RNA) where: Base-Base interactions energy: -343.709 where: short stacking energy: -164.214 Base-Backbone interact. energy: 1.876 local terms energy: -210.849813 where: bonds (distance) C4'-P energy: -48.978 bonds (distance) P-C4' energy: -58.065 flat angles C4'-P-C4' energy: -46.883 flat angles P-C4'-P energy: -36.738 tors. eta vs tors. theta energy: -20.185 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: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -323.518772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.518772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.518772 (E_RNA) where: Base-Base interactions energy: -110.773 where: short stacking energy: -91.891 Base-Backbone interact. energy: -0.055 local terms energy: -212.690403 where: bonds (distance) C4'-P energy: -51.019 bonds (distance) P-C4' energy: -63.311 flat angles C4'-P-C4' energy: -58.289 flat angles P-C4'-P energy: -34.038 tors. eta vs tors. theta energy: -6.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -306.424231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.424231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.424231 (E_RNA) where: Base-Base interactions energy: -116.638 where: short stacking energy: -91.061 Base-Backbone interact. energy: 0.867 local terms energy: -190.653143 where: bonds (distance) C4'-P energy: -60.009 bonds (distance) P-C4' energy: -60.727 flat angles C4'-P-C4' energy: -49.065 flat angles P-C4'-P energy: -25.726 tors. eta vs tors. theta energy: 4.874 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: 99 Temperature: 0.900000 Total energy: -1104.385519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.385519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.385519 (E_RNA) where: Base-Base interactions energy: -727.706 where: short stacking energy: -336.139 Base-Backbone interact. energy: -0.756 local terms energy: -375.923643 where: bonds (distance) C4'-P energy: -68.118 bonds (distance) P-C4' energy: -75.399 flat angles C4'-P-C4' energy: -80.667 flat angles P-C4'-P energy: -55.639 tors. eta vs tors. theta energy: -96.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1025.369005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.369005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.369005 (E_RNA) where: Base-Base interactions energy: -674.905 where: short stacking energy: -323.338 Base-Backbone interact. energy: -0.880 local terms energy: -349.583665 where: bonds (distance) C4'-P energy: -69.799 bonds (distance) P-C4' energy: -70.892 flat angles C4'-P-C4' energy: -70.961 flat angles P-C4'-P energy: -41.815 tors. eta vs tors. theta energy: -96.118 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: 9 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1012.522135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.522135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.522135 (E_RNA) where: Base-Base interactions energy: -672.762 where: short stacking energy: -320.355 Base-Backbone interact. energy: -0.514 local terms energy: -339.245421 where: bonds (distance) C4'-P energy: -68.217 bonds (distance) P-C4' energy: -68.698 flat angles C4'-P-C4' energy: -67.711 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -85.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -923.943157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.943157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.943157 (E_RNA) where: Base-Base interactions energy: -608.270 where: short stacking energy: -294.914 Base-Backbone interact. energy: -1.070 local terms energy: -314.602846 where: bonds (distance) C4'-P energy: -70.584 bonds (distance) P-C4' energy: -63.190 flat angles C4'-P-C4' energy: -68.862 flat angles P-C4'-P energy: -37.656 tors. eta vs tors. theta energy: -74.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -832.174400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.174400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.174400 (E_RNA) where: Base-Base interactions energy: -532.487 where: short stacking energy: -257.031 Base-Backbone interact. energy: -0.589 local terms energy: -299.098628 where: bonds (distance) C4'-P energy: -49.032 bonds (distance) P-C4' energy: -70.846 flat angles C4'-P-C4' energy: -74.499 flat angles P-C4'-P energy: -44.015 tors. eta vs tors. theta energy: -60.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -836.322258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.322258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.322258 (E_RNA) where: Base-Base interactions energy: -543.375 where: short stacking energy: -258.183 Base-Backbone interact. energy: 1.560 local terms energy: -294.508043 where: bonds (distance) C4'-P energy: -61.721 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -64.778 flat angles P-C4'-P energy: -43.060 tors. eta vs tors. theta energy: -60.096 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: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -720.458039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.458039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.458039 (E_RNA) where: Base-Base interactions energy: -435.918 where: short stacking energy: -208.285 Base-Backbone interact. energy: 1.681 local terms energy: -286.221019 where: bonds (distance) C4'-P energy: -60.579 bonds (distance) P-C4' energy: -66.639 flat angles C4'-P-C4' energy: -64.531 flat angles P-C4'-P energy: -43.538 tors. eta vs tors. theta energy: -50.934 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: 99 Temperature: 1.250000 Total energy: -549.012850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.012850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.012850 (E_RNA) where: Base-Base interactions energy: -308.403 where: short stacking energy: -161.305 Base-Backbone interact. energy: -1.050 local terms energy: -239.560119 where: bonds (distance) C4'-P energy: -46.853 bonds (distance) P-C4' energy: -65.396 flat angles C4'-P-C4' energy: -65.488 flat angles P-C4'-P energy: -35.725 tors. eta vs tors. theta energy: -26.098 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: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -326.879562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.879562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.879562 (E_RNA) where: Base-Base interactions energy: -132.901 where: short stacking energy: -110.989 Base-Backbone interact. energy: -1.904 local terms energy: -192.074341 where: bonds (distance) C4'-P energy: -48.628 bonds (distance) P-C4' energy: -52.749 flat angles C4'-P-C4' energy: -52.186 flat angles P-C4'-P energy: -33.382 tors. eta vs tors. theta energy: -5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -276.424781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.424781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.424781 (E_RNA) where: Base-Base interactions energy: -110.742 where: short stacking energy: -95.109 Base-Backbone interact. energy: 2.343 local terms energy: -168.025538 where: bonds (distance) C4'-P energy: -55.645 bonds (distance) P-C4' energy: -59.527 flat angles C4'-P-C4' energy: -43.679 flat angles P-C4'-P energy: -18.358 tors. eta vs tors. theta energy: 9.184 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: 1, replica: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1084.591254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.591254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.591254 (E_RNA) where: Base-Base interactions energy: -715.215 where: short stacking energy: -339.858 Base-Backbone interact. energy: -2.362 local terms energy: -367.013639 where: bonds (distance) C4'-P energy: -70.333 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -77.406 flat angles P-C4'-P energy: -51.214 tors. eta vs tors. theta energy: -94.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1020.534518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.534518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.534518 (E_RNA) where: Base-Base interactions energy: -669.068 where: short stacking energy: -314.315 Base-Backbone interact. energy: -0.944 local terms energy: -350.521830 where: bonds (distance) C4'-P energy: -64.857 bonds (distance) P-C4' energy: -68.551 flat angles C4'-P-C4' energy: -77.055 flat angles P-C4'-P energy: -49.022 tors. eta vs tors. theta energy: -91.038 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: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -974.694461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.694461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.694461 (E_RNA) where: Base-Base interactions energy: -655.206 where: short stacking energy: -304.792 Base-Backbone interact. energy: 0.343 local terms energy: -319.831942 where: bonds (distance) C4'-P energy: -58.161 bonds (distance) P-C4' energy: -68.414 flat angles C4'-P-C4' energy: -73.154 flat angles P-C4'-P energy: -47.633 tors. eta vs tors. theta energy: -72.470 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: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -901.714188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.714188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.714188 (E_RNA) where: Base-Base interactions energy: -576.519 where: short stacking energy: -265.042 Base-Backbone interact. energy: -2.499 local terms energy: -322.696261 where: bonds (distance) C4'-P energy: -61.894 bonds (distance) P-C4' energy: -71.124 flat angles C4'-P-C4' energy: -80.618 flat angles P-C4'-P energy: -38.241 tors. eta vs tors. theta energy: -70.819 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: 100 Temperature: 1.100000 Total energy: -794.251468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.251468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.251468 (E_RNA) where: Base-Base interactions energy: -500.151 where: short stacking energy: -249.506 Base-Backbone interact. energy: -0.620 local terms energy: -293.480708 where: bonds (distance) C4'-P energy: -63.566 bonds (distance) P-C4' energy: -67.566 flat angles C4'-P-C4' energy: -73.562 flat angles P-C4'-P energy: -38.478 tors. eta vs tors. theta energy: -50.309 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: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -844.788135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.788135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.788135 (E_RNA) where: Base-Base interactions energy: -539.256 where: short stacking energy: -257.424 Base-Backbone interact. energy: -1.051 local terms energy: -304.480939 where: bonds (distance) C4'-P energy: -66.074 bonds (distance) P-C4' energy: -46.715 flat angles C4'-P-C4' energy: -66.039 flat angles P-C4'-P energy: -54.843 tors. eta vs tors. theta energy: -70.811 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: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -727.720715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.720715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.720715 (E_RNA) where: Base-Base interactions energy: -462.343 where: short stacking energy: -226.901 Base-Backbone interact. energy: -1.085 local terms energy: -264.293364 where: bonds (distance) C4'-P energy: -56.980 bonds (distance) P-C4' energy: -58.688 flat angles C4'-P-C4' energy: -60.361 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: -46.872 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: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -553.959750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.959750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.959750 (E_RNA) where: Base-Base interactions energy: -299.453 where: short stacking energy: -173.287 Base-Backbone interact. energy: -0.660 local terms energy: -253.846905 where: bonds (distance) C4'-P energy: -52.771 bonds (distance) P-C4' energy: -60.232 flat angles C4'-P-C4' energy: -59.526 flat angles P-C4'-P energy: -41.996 tors. eta vs tors. theta energy: -39.321 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: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -330.147069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.147069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.147069 (E_RNA) where: Base-Base interactions energy: -128.248 where: short stacking energy: -89.130 Base-Backbone interact. energy: -0.519 local terms energy: -201.379438 where: bonds (distance) C4'-P energy: -53.543 bonds (distance) P-C4' energy: -59.099 flat angles C4'-P-C4' energy: -54.611 flat angles P-C4'-P energy: -28.103 tors. eta vs tors. theta energy: -6.024 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: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -302.508179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.508179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.508179 (E_RNA) where: Base-Base interactions energy: -119.834 where: short stacking energy: -93.927 Base-Backbone interact. energy: 1.757 local terms energy: -184.431457 where: bonds (distance) C4'-P energy: -50.589 bonds (distance) P-C4' energy: -60.499 flat angles C4'-P-C4' energy: -55.068 flat angles P-C4'-P energy: -23.407 tors. eta vs tors. theta energy: 5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1085.667958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.667958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.667958 (E_RNA) where: Base-Base interactions energy: -722.904 where: short stacking energy: -334.690 Base-Backbone interact. energy: -2.731 local terms energy: -360.033027 where: bonds (distance) C4'-P energy: -72.759 bonds (distance) P-C4' energy: -69.246 flat angles C4'-P-C4' energy: -79.037 flat angles P-C4'-P energy: -51.240 tors. eta vs tors. theta energy: -87.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1032.276926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.276926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.276926 (E_RNA) where: Base-Base interactions energy: -682.283 where: short stacking energy: -340.374 Base-Backbone interact. energy: 4.546 local terms energy: -354.539914 where: bonds (distance) C4'-P energy: -68.023 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -72.310 flat angles P-C4'-P energy: -46.542 tors. eta vs tors. theta energy: -99.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -950.849712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.849712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.849712 (E_RNA) where: Base-Base interactions energy: -633.909 where: short stacking energy: -292.018 Base-Backbone interact. energy: -1.685 local terms energy: -315.255942 where: bonds (distance) C4'-P energy: -71.085 bonds (distance) P-C4' energy: -70.473 flat angles C4'-P-C4' energy: -58.274 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -68.865 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: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -902.890892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.890892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.890892 (E_RNA) where: Base-Base interactions energy: -588.627 where: short stacking energy: -265.438 Base-Backbone interact. energy: -1.476 local terms energy: -312.787349 where: bonds (distance) C4'-P energy: -59.508 bonds (distance) P-C4' energy: -61.223 flat angles C4'-P-C4' energy: -66.956 flat angles P-C4'-P energy: -55.678 tors. eta vs tors. theta energy: -69.422 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: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -756.285800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.285800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.285800 (E_RNA) where: Base-Base interactions energy: -477.863 where: short stacking energy: -210.948 Base-Backbone interact. energy: -1.563 local terms energy: -276.859098 where: bonds (distance) C4'-P energy: -64.571 bonds (distance) P-C4' energy: -62.987 flat angles C4'-P-C4' energy: -56.512 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -51.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -822.803963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.803963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.803963 (E_RNA) where: Base-Base interactions energy: -531.054 where: short stacking energy: -247.096 Base-Backbone interact. energy: -0.837 local terms energy: -290.913105 where: bonds (distance) C4'-P energy: -55.382 bonds (distance) P-C4' energy: -62.951 flat angles C4'-P-C4' energy: -66.424 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -60.240 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: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -713.287585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.287585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.287585 (E_RNA) where: Base-Base interactions energy: -459.708 where: short stacking energy: -227.804 Base-Backbone interact. energy: -1.623 local terms energy: -251.956306 where: bonds (distance) C4'-P energy: -45.372 bonds (distance) P-C4' energy: -57.090 flat angles C4'-P-C4' energy: -55.677 flat angles P-C4'-P energy: -39.809 tors. eta vs tors. theta energy: -54.008 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: 101 Temperature: 1.250000 Total energy: -527.242538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.242538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.242538 (E_RNA) where: Base-Base interactions energy: -298.013 where: short stacking energy: -172.515 Base-Backbone interact. energy: 0.502 local terms energy: -229.732209 where: bonds (distance) C4'-P energy: -73.215 bonds (distance) P-C4' energy: -53.141 flat angles C4'-P-C4' energy: -51.461 flat angles P-C4'-P energy: -32.624 tors. eta vs tors. theta energy: -19.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -350.526759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.526759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.526759 (E_RNA) where: Base-Base interactions energy: -137.213 where: short stacking energy: -107.733 Base-Backbone interact. energy: 3.115 local terms energy: -216.428981 where: bonds (distance) C4'-P energy: -55.911 bonds (distance) P-C4' energy: -49.508 flat angles C4'-P-C4' energy: -50.030 flat angles P-C4'-P energy: -40.758 tors. eta vs tors. theta energy: -20.223 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: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -377.048635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.048635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.048635 (E_RNA) where: Base-Base interactions energy: -159.202 where: short stacking energy: -105.744 Base-Backbone interact. energy: -0.985 local terms energy: -216.860763 where: bonds (distance) C4'-P energy: -69.258 bonds (distance) P-C4' energy: -65.558 flat angles C4'-P-C4' energy: -51.150 flat angles P-C4'-P energy: -27.626 tors. eta vs tors. theta energy: -3.269 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: 102 Temperature: 0.900000 Total energy: -1088.155076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.155076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.155076 (E_RNA) where: Base-Base interactions energy: -741.015 where: short stacking energy: -337.654 Base-Backbone interact. energy: -0.953 local terms energy: -346.186596 where: bonds (distance) C4'-P energy: -67.023 bonds (distance) P-C4' energy: -70.250 flat angles C4'-P-C4' energy: -58.008 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: -99.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1040.575220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.575220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.575220 (E_RNA) where: Base-Base interactions energy: -690.208 where: short stacking energy: -312.703 Base-Backbone interact. energy: -1.912 local terms energy: -348.455204 where: bonds (distance) C4'-P energy: -64.899 bonds (distance) P-C4' energy: -75.682 flat angles C4'-P-C4' energy: -67.269 flat angles P-C4'-P energy: -51.519 tors. eta vs tors. theta energy: -89.087 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: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -950.271894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.271894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.271894 (E_RNA) where: Base-Base interactions energy: -630.181 where: short stacking energy: -288.235 Base-Backbone interact. energy: -0.898 local terms energy: -319.192804 where: bonds (distance) C4'-P energy: -67.741 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -63.673 flat angles P-C4'-P energy: -55.165 tors. eta vs tors. theta energy: -70.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -864.793434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.793434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.793434 (E_RNA) where: Base-Base interactions energy: -563.143 where: short stacking energy: -249.008 Base-Backbone interact. energy: -1.384 local terms energy: -300.265449 where: bonds (distance) C4'-P energy: -57.632 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -71.243 flat angles P-C4'-P energy: -39.748 tors. eta vs tors. theta energy: -63.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -802.990215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.990215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.990215 (E_RNA) where: Base-Base interactions energy: -507.234 where: short stacking energy: -231.671 Base-Backbone interact. energy: -0.846 local terms energy: -294.910132 where: bonds (distance) C4'-P energy: -60.245 bonds (distance) P-C4' energy: -63.642 flat angles C4'-P-C4' energy: -66.192 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -55.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -751.996871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.996871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.996871 (E_RNA) where: Base-Base interactions energy: -451.610 where: short stacking energy: -233.241 Base-Backbone interact. energy: -1.783 local terms energy: -298.603528 where: bonds (distance) C4'-P energy: -57.233 bonds (distance) P-C4' energy: -69.903 flat angles C4'-P-C4' energy: -52.598 flat angles P-C4'-P energy: -54.002 tors. eta vs tors. theta energy: -64.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -718.511572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.511572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.511572 (E_RNA) where: Base-Base interactions energy: -461.232 where: short stacking energy: -215.632 Base-Backbone interact. energy: -0.491 local terms energy: -256.788562 where: bonds (distance) C4'-P energy: -43.159 bonds (distance) P-C4' energy: -56.184 flat angles C4'-P-C4' energy: -58.663 flat angles P-C4'-P energy: -47.315 tors. eta vs tors. theta energy: -51.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -574.824927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.824927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.824927 (E_RNA) where: Base-Base interactions energy: -354.303 where: short stacking energy: -174.405 Base-Backbone interact. energy: -0.236 local terms energy: -220.285469 where: bonds (distance) C4'-P energy: -48.266 bonds (distance) P-C4' energy: -52.941 flat angles C4'-P-C4' energy: -58.190 flat angles P-C4'-P energy: -33.381 tors. eta vs tors. theta energy: -27.507 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: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -391.977311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.977311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.977311 (E_RNA) where: Base-Base interactions energy: -198.260 where: short stacking energy: -112.731 Base-Backbone interact. energy: -0.233 local terms energy: -193.484228 where: bonds (distance) C4'-P energy: -55.173 bonds (distance) P-C4' energy: -62.420 flat angles C4'-P-C4' energy: -43.651 flat angles P-C4'-P energy: -32.134 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: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -344.823679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.823679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.823679 (E_RNA) where: Base-Base interactions energy: -145.579 where: short stacking energy: -91.682 Base-Backbone interact. energy: -0.691 local terms energy: -198.553247 where: bonds (distance) C4'-P energy: -62.451 bonds (distance) P-C4' energy: -59.313 flat angles C4'-P-C4' energy: -43.311 flat angles P-C4'-P energy: -30.888 tors. eta vs tors. theta energy: -2.589 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: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1102.362833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.362833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.362833 (E_RNA) where: Base-Base interactions energy: -738.847 where: short stacking energy: -337.306 Base-Backbone interact. energy: -2.272 local terms energy: -361.244036 where: bonds (distance) C4'-P energy: -72.455 bonds (distance) P-C4' energy: -68.527 flat angles C4'-P-C4' energy: -73.761 flat angles P-C4'-P energy: -51.624 tors. eta vs tors. theta energy: -94.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1006.278969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.278969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.278969 (E_RNA) where: Base-Base interactions energy: -666.587 where: short stacking energy: -308.864 Base-Backbone interact. energy: -0.321 local terms energy: -339.370771 where: bonds (distance) C4'-P energy: -61.418 bonds (distance) P-C4' energy: -66.020 flat angles C4'-P-C4' energy: -78.267 flat angles P-C4'-P energy: -48.901 tors. eta vs tors. theta energy: -84.765 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: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -941.668017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.668017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.668017 (E_RNA) where: Base-Base interactions energy: -612.000 where: short stacking energy: -298.022 Base-Backbone interact. energy: 1.695 local terms energy: -331.362754 where: bonds (distance) C4'-P energy: -57.077 bonds (distance) P-C4' energy: -70.485 flat angles C4'-P-C4' energy: -73.670 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -82.004 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: 103 Temperature: 1.050000 Total energy: -894.674753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.674753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.674753 (E_RNA) where: Base-Base interactions energy: -584.608 where: short stacking energy: -274.143 Base-Backbone interact. energy: 1.557 local terms energy: -311.623648 where: bonds (distance) C4'-P energy: -62.731 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -64.825 flat angles P-C4'-P energy: -46.839 tors. eta vs tors. theta energy: -75.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -850.231740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.231740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.231740 (E_RNA) where: Base-Base interactions energy: -552.339 where: short stacking energy: -259.289 Base-Backbone interact. energy: -1.431 local terms energy: -296.461684 where: bonds (distance) C4'-P energy: -52.593 bonds (distance) P-C4' energy: -58.992 flat angles C4'-P-C4' energy: -71.199 flat angles P-C4'-P energy: -46.489 tors. eta vs tors. theta energy: -67.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -749.430599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.430599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.430599 (E_RNA) where: Base-Base interactions energy: -472.758 where: short stacking energy: -233.285 Base-Backbone interact. energy: -2.474 local terms energy: -274.198812 where: bonds (distance) C4'-P energy: -55.021 bonds (distance) P-C4' energy: -61.642 flat angles C4'-P-C4' energy: -71.032 flat angles P-C4'-P energy: -28.562 tors. eta vs tors. theta energy: -57.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -685.235541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.235541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.235541 (E_RNA) where: Base-Base interactions energy: -422.130 where: short stacking energy: -198.826 Base-Backbone interact. energy: -0.512 local terms energy: -262.593856 where: bonds (distance) C4'-P energy: -68.145 bonds (distance) P-C4' energy: -64.111 flat angles C4'-P-C4' energy: -47.880 flat angles P-C4'-P energy: -47.121 tors. eta vs tors. theta energy: -35.336 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: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -595.685774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.685774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.685774 (E_RNA) where: Base-Base interactions energy: -346.363 where: short stacking energy: -182.008 Base-Backbone interact. energy: -0.754 local terms energy: -248.568493 where: bonds (distance) C4'-P energy: -55.280 bonds (distance) P-C4' energy: -68.858 flat angles C4'-P-C4' energy: -54.886 flat angles P-C4'-P energy: -33.144 tors. eta vs tors. theta energy: -36.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -459.939047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.939047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.939047 (E_RNA) where: Base-Base interactions energy: -247.096 where: short stacking energy: -147.229 Base-Backbone interact. energy: 1.113 local terms energy: -213.955847 where: bonds (distance) C4'-P energy: -55.201 bonds (distance) P-C4' energy: -70.353 flat angles C4'-P-C4' energy: -53.615 flat angles P-C4'-P energy: -17.602 tors. eta vs tors. theta energy: -17.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -354.114849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.114849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.114849 (E_RNA) where: Base-Base interactions energy: -172.779 where: short stacking energy: -122.419 Base-Backbone interact. energy: -0.710 local terms energy: -180.625581 where: bonds (distance) C4'-P energy: -55.950 bonds (distance) P-C4' energy: -54.082 flat angles C4'-P-C4' energy: -39.128 flat angles P-C4'-P energy: -29.170 tors. eta vs tors. theta energy: -2.295 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: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1071.511346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.511346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.511346 (E_RNA) where: Base-Base interactions energy: -702.758 where: short stacking energy: -323.538 Base-Backbone interact. energy: -3.202 local terms energy: -365.551093 where: bonds (distance) C4'-P energy: -69.332 bonds (distance) P-C4' energy: -75.843 flat angles C4'-P-C4' energy: -78.385 flat angles P-C4'-P energy: -59.136 tors. eta vs tors. theta energy: -82.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1046.351281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.351281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.351281 (E_RNA) where: Base-Base interactions energy: -684.683 where: short stacking energy: -335.810 Base-Backbone interact. energy: 0.846 local terms energy: -362.514173 where: bonds (distance) C4'-P energy: -71.342 bonds (distance) P-C4' energy: -73.271 flat angles C4'-P-C4' energy: -79.471 flat angles P-C4'-P energy: -46.234 tors. eta vs tors. theta energy: -92.197 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: 3, replica: 9 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -937.658985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.658985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.658985 (E_RNA) where: Base-Base interactions energy: -610.648 where: short stacking energy: -295.351 Base-Backbone interact. energy: -1.159 local terms energy: -325.851460 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -70.582 flat angles C4'-P-C4' energy: -72.735 flat angles P-C4'-P energy: -50.586 tors. eta vs tors. theta energy: -75.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -880.108251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.108251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.108251 (E_RNA) where: Base-Base interactions energy: -585.691 where: short stacking energy: -280.584 Base-Backbone interact. energy: -1.129 local terms energy: -293.288014 where: bonds (distance) C4'-P energy: -59.768 bonds (distance) P-C4' energy: -59.476 flat angles C4'-P-C4' energy: -65.828 flat angles P-C4'-P energy: -37.666 tors. eta vs tors. theta energy: -70.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -913.145936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.145936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.145936 (E_RNA) where: Base-Base interactions energy: -589.046 where: short stacking energy: -271.669 Base-Backbone interact. energy: -2.646 local terms energy: -321.453996 where: bonds (distance) C4'-P energy: -61.479 bonds (distance) P-C4' energy: -59.687 flat angles C4'-P-C4' energy: -60.560 flat angles P-C4'-P energy: -47.962 tors. eta vs tors. theta energy: -91.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -763.337126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.337126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.337126 (E_RNA) where: Base-Base interactions energy: -485.281 where: short stacking energy: -223.755 Base-Backbone interact. energy: -1.846 local terms energy: -276.210706 where: bonds (distance) C4'-P energy: -60.575 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -60.686 flat angles P-C4'-P energy: -41.829 tors. eta vs tors. theta energy: -54.324 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: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -703.865641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.865641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.865641 (E_RNA) where: Base-Base interactions energy: -447.545 where: short stacking energy: -203.800 Base-Backbone interact. energy: -0.419 local terms energy: -255.901511 where: bonds (distance) C4'-P energy: -48.321 bonds (distance) P-C4' energy: -67.854 flat angles C4'-P-C4' energy: -61.940 flat angles P-C4'-P energy: -35.799 tors. eta vs tors. theta energy: -41.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -576.261258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.261258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.261258 (E_RNA) where: Base-Base interactions energy: -345.485 where: short stacking energy: -179.290 Base-Backbone interact. energy: 1.190 local terms energy: -231.966408 where: bonds (distance) C4'-P energy: -54.704 bonds (distance) P-C4' energy: -56.371 flat angles C4'-P-C4' energy: -54.164 flat angles P-C4'-P energy: -30.993 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: 104 Temperature: 1.300000 Total energy: -461.370810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.370810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.370810 (E_RNA) where: Base-Base interactions energy: -245.165 where: short stacking energy: -138.750 Base-Backbone interact. energy: 0.612 local terms energy: -216.817928 where: bonds (distance) C4'-P energy: -62.027 bonds (distance) P-C4' energy: -40.510 flat angles C4'-P-C4' energy: -54.034 flat angles P-C4'-P energy: -39.674 tors. eta vs tors. theta energy: -20.573 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: 104 Temperature: 1.350000 Total energy: -331.548284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.548284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.548284 (E_RNA) where: Base-Base interactions energy: -143.284 where: short stacking energy: -111.484 Base-Backbone interact. energy: 1.949 local terms energy: -190.213464 where: bonds (distance) C4'-P energy: -57.561 bonds (distance) P-C4' energy: -62.518 flat angles C4'-P-C4' energy: -37.480 flat angles P-C4'-P energy: -37.589 tors. eta vs tors. theta energy: 4.936 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: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1083.453219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.453219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.453219 (E_RNA) where: Base-Base interactions energy: -722.844 where: short stacking energy: -329.019 Base-Backbone interact. energy: -0.964 local terms energy: -359.645676 where: bonds (distance) C4'-P energy: -66.531 bonds (distance) P-C4' energy: -72.170 flat angles C4'-P-C4' energy: -71.858 flat angles P-C4'-P energy: -55.256 tors. eta vs tors. theta energy: -93.831 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: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1041.012423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.012423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.012423 (E_RNA) where: Base-Base interactions energy: -683.047 where: short stacking energy: -340.907 Base-Backbone interact. energy: -0.377 local terms energy: -357.588986 where: bonds (distance) C4'-P energy: -68.237 bonds (distance) P-C4' energy: -65.848 flat angles C4'-P-C4' energy: -77.195 flat angles P-C4'-P energy: -50.998 tors. eta vs tors. theta energy: -95.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -956.673344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.673344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.673344 (E_RNA) where: Base-Base interactions energy: -630.138 where: short stacking energy: -283.895 Base-Backbone interact. energy: -1.002 local terms energy: -325.533455 where: bonds (distance) C4'-P energy: -53.449 bonds (distance) P-C4' energy: -69.707 flat angles C4'-P-C4' energy: -72.809 flat angles P-C4'-P energy: -54.088 tors. eta vs tors. theta energy: -75.479 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: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -931.431618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.431618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.431618 (E_RNA) where: Base-Base interactions energy: -606.258 where: short stacking energy: -302.140 Base-Backbone interact. energy: -3.476 local terms energy: -321.697518 where: bonds (distance) C4'-P energy: -69.348 bonds (distance) P-C4' energy: -63.051 flat angles C4'-P-C4' energy: -71.096 flat angles P-C4'-P energy: -37.311 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: 5, replica: 4 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -807.060666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.060666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.060666 (E_RNA) where: Base-Base interactions energy: -496.109 where: short stacking energy: -213.916 Base-Backbone interact. energy: -1.570 local terms energy: -309.381529 where: bonds (distance) C4'-P energy: -63.221 bonds (distance) P-C4' energy: -75.506 flat angles C4'-P-C4' energy: -73.602 flat angles P-C4'-P energy: -45.253 tors. eta vs tors. theta energy: -51.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -755.446694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.446694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.446694 (E_RNA) where: Base-Base interactions energy: -491.065 where: short stacking energy: -269.000 Base-Backbone interact. energy: 0.336 local terms energy: -264.718400 where: bonds (distance) C4'-P energy: -57.718 bonds (distance) P-C4' energy: -58.480 flat angles C4'-P-C4' energy: -55.319 flat angles P-C4'-P energy: -26.076 tors. eta vs tors. theta energy: -67.125 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: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -741.378787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.378787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.378787 (E_RNA) where: Base-Base interactions energy: -461.834 where: short stacking energy: -224.734 Base-Backbone interact. energy: -1.041 local terms energy: -278.503826 where: bonds (distance) C4'-P energy: -57.070 bonds (distance) P-C4' energy: -56.126 flat angles C4'-P-C4' energy: -69.129 flat angles P-C4'-P energy: -43.464 tors. eta vs tors. theta energy: -52.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -570.445899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.445899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.445899 (E_RNA) where: Base-Base interactions energy: -310.061 where: short stacking energy: -162.276 Base-Backbone interact. energy: -0.727 local terms energy: -259.657756 where: bonds (distance) C4'-P energy: -73.489 bonds (distance) P-C4' energy: -60.098 flat angles C4'-P-C4' energy: -60.640 flat angles P-C4'-P energy: -35.233 tors. eta vs tors. theta energy: -30.198 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: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -439.236036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.236036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.236036 (E_RNA) where: Base-Base interactions energy: -212.691 where: short stacking energy: -121.172 Base-Backbone interact. energy: -1.312 local terms energy: -225.232656 where: bonds (distance) C4'-P energy: -60.200 bonds (distance) P-C4' energy: -57.181 flat angles C4'-P-C4' energy: -65.208 flat angles P-C4'-P energy: -38.996 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -365.189865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.189865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.189865 (E_RNA) where: Base-Base interactions energy: -174.850 where: short stacking energy: -97.581 Base-Backbone interact. energy: 1.392 local terms energy: -191.732803 where: bonds (distance) C4'-P energy: -60.532 bonds (distance) P-C4' energy: -45.642 flat angles C4'-P-C4' energy: -43.765 flat angles P-C4'-P energy: -40.902 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1071.238733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.238733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.238733 (E_RNA) where: Base-Base interactions energy: -711.646 where: short stacking energy: -317.959 Base-Backbone interact. energy: -1.817 local terms energy: -357.776190 where: bonds (distance) C4'-P energy: -64.916 bonds (distance) P-C4' energy: -67.249 flat angles C4'-P-C4' energy: -83.971 flat angles P-C4'-P energy: -49.177 tors. eta vs tors. theta energy: -92.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1029.303172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.303172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.303172 (E_RNA) where: Base-Base interactions energy: -680.628 where: short stacking energy: -330.370 Base-Backbone interact. energy: -1.397 local terms energy: -347.278287 where: bonds (distance) C4'-P energy: -66.072 bonds (distance) P-C4' energy: -65.475 flat angles C4'-P-C4' energy: -71.647 flat angles P-C4'-P energy: -48.656 tors. eta vs tors. theta energy: -95.429 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: 9 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -989.892536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.892536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.892536 (E_RNA) where: Base-Base interactions energy: -656.551 where: short stacking energy: -316.767 Base-Backbone interact. energy: 1.403 local terms energy: -334.744298 where: bonds (distance) C4'-P energy: -60.141 bonds (distance) P-C4' energy: -74.439 flat angles C4'-P-C4' energy: -72.733 flat angles P-C4'-P energy: -43.224 tors. eta vs tors. theta energy: -84.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -885.794537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.794537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.794537 (E_RNA) where: Base-Base interactions energy: -568.872 where: short stacking energy: -276.057 Base-Backbone interact. energy: -1.347 local terms energy: -315.576178 where: bonds (distance) C4'-P energy: -71.676 bonds (distance) P-C4' energy: -63.720 flat angles C4'-P-C4' energy: -66.029 flat angles P-C4'-P energy: -52.242 tors. eta vs tors. theta energy: -61.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -822.055756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.055756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.055756 (E_RNA) where: Base-Base interactions energy: -523.417 where: short stacking energy: -242.049 Base-Backbone interact. energy: -0.591 local terms energy: -298.047648 where: bonds (distance) C4'-P energy: -64.145 bonds (distance) P-C4' energy: -67.565 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -37.472 tors. eta vs tors. theta energy: -62.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -766.378085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.378085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.378085 (E_RNA) where: Base-Base interactions energy: -476.186 where: short stacking energy: -253.319 Base-Backbone interact. energy: 1.353 local terms energy: -291.545412 where: bonds (distance) C4'-P energy: -62.990 bonds (distance) P-C4' energy: -62.396 flat angles C4'-P-C4' energy: -68.473 flat angles P-C4'-P energy: -30.088 tors. eta vs tors. theta energy: -67.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -740.617227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.617227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.617227 (E_RNA) where: Base-Base interactions energy: -468.510 where: short stacking energy: -235.268 Base-Backbone interact. energy: 0.761 local terms energy: -272.868021 where: bonds (distance) C4'-P energy: -51.402 bonds (distance) P-C4' energy: -61.609 flat angles C4'-P-C4' energy: -68.259 flat angles P-C4'-P energy: -40.011 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: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -579.377339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.377339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.377339 (E_RNA) where: Base-Base interactions energy: -332.396 where: short stacking energy: -179.626 Base-Backbone interact. energy: 1.504 local terms energy: -248.485079 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -63.779 flat angles C4'-P-C4' energy: -58.301 flat angles P-C4'-P energy: -26.268 tors. eta vs tors. theta energy: -29.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -475.248830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.248830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.248830 (E_RNA) where: Base-Base interactions energy: -258.857 where: short stacking energy: -130.583 Base-Backbone interact. energy: -0.726 local terms energy: -215.665297 where: bonds (distance) C4'-P energy: -57.870 bonds (distance) P-C4' energy: -59.079 flat angles C4'-P-C4' energy: -52.746 flat angles P-C4'-P energy: -27.141 tors. eta vs tors. theta energy: -18.829 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: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -366.176672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.176672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.176672 (E_RNA) where: Base-Base interactions energy: -161.544 where: short stacking energy: -100.788 Base-Backbone interact. energy: -0.582 local terms energy: -204.050210 where: bonds (distance) C4'-P energy: -44.997 bonds (distance) P-C4' energy: -71.510 flat angles C4'-P-C4' energy: -48.343 flat angles P-C4'-P energy: -32.339 tors. eta vs tors. theta energy: -6.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1062.179777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.179777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.179777 (E_RNA) where: Base-Base interactions energy: -698.397 where: short stacking energy: -314.065 Base-Backbone interact. energy: 0.084 local terms energy: -363.867383 where: bonds (distance) C4'-P energy: -75.557 bonds (distance) P-C4' energy: -72.345 flat angles C4'-P-C4' energy: -74.207 flat angles P-C4'-P energy: -50.451 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: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1029.961840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.961840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.961840 (E_RNA) where: Base-Base interactions energy: -686.628 where: short stacking energy: -328.441 Base-Backbone interact. energy: -0.812 local terms energy: -342.520978 where: bonds (distance) C4'-P energy: -64.616 bonds (distance) P-C4' energy: -61.936 flat angles C4'-P-C4' energy: -75.876 flat angles P-C4'-P energy: -45.682 tors. eta vs tors. theta energy: -94.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -979.851913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.851913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.851913 (E_RNA) where: Base-Base interactions energy: -662.791 where: short stacking energy: -313.419 Base-Backbone interact. energy: -0.972 local terms energy: -316.088758 where: bonds (distance) C4'-P energy: -54.738 bonds (distance) P-C4' energy: -66.344 flat angles C4'-P-C4' energy: -68.529 flat angles P-C4'-P energy: -46.415 tors. eta vs tors. theta energy: -80.063 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: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -945.631360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.631360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.631360 (E_RNA) where: Base-Base interactions energy: -622.504 where: short stacking energy: -267.341 Base-Backbone interact. energy: -0.491 local terms energy: -322.636195 where: bonds (distance) C4'-P energy: -64.671 bonds (distance) P-C4' energy: -60.928 flat angles C4'-P-C4' energy: -72.426 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -76.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -851.296793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.296793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.296793 (E_RNA) where: Base-Base interactions energy: -551.486 where: short stacking energy: -264.031 Base-Backbone interact. energy: -1.017 local terms energy: -298.793156 where: bonds (distance) C4'-P energy: -65.957 bonds (distance) P-C4' energy: -58.814 flat angles C4'-P-C4' energy: -63.952 flat angles P-C4'-P energy: -45.776 tors. eta vs tors. theta energy: -64.294 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: 6, replica: 3 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -830.543073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.543073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.543073 (E_RNA) where: Base-Base interactions energy: -511.244 where: short stacking energy: -250.676 Base-Backbone interact. energy: -0.192 local terms energy: -319.106561 where: bonds (distance) C4'-P energy: -65.436 bonds (distance) P-C4' energy: -65.565 flat angles C4'-P-C4' energy: -69.029 flat angles P-C4'-P energy: -48.438 tors. eta vs tors. theta energy: -70.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -702.649592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.649592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.649592 (E_RNA) where: Base-Base interactions energy: -419.600 where: short stacking energy: -216.006 Base-Backbone interact. energy: -1.663 local terms energy: -281.386844 where: bonds (distance) C4'-P energy: -62.991 bonds (distance) P-C4' energy: -54.565 flat angles C4'-P-C4' energy: -68.425 flat angles P-C4'-P energy: -31.313 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: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -596.254062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.254062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.254062 (E_RNA) where: Base-Base interactions energy: -352.526 where: short stacking energy: -166.052 Base-Backbone interact. energy: -0.792 local terms energy: -242.936424 where: bonds (distance) C4'-P energy: -52.205 bonds (distance) P-C4' energy: -71.459 flat angles C4'-P-C4' energy: -61.108 flat angles P-C4'-P energy: -38.422 tors. eta vs tors. theta energy: -19.741 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: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -514.483122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.483122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.483122 (E_RNA) where: Base-Base interactions energy: -304.761 where: short stacking energy: -157.976 Base-Backbone interact. energy: 1.103 local terms energy: -210.825640 where: bonds (distance) C4'-P energy: -45.457 bonds (distance) P-C4' energy: -61.705 flat angles C4'-P-C4' energy: -53.086 flat angles P-C4'-P energy: -28.906 tors. eta vs tors. theta energy: -21.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -398.591141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.591141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.591141 (E_RNA) where: Base-Base interactions energy: -202.202 where: short stacking energy: -122.122 Base-Backbone interact. energy: 1.015 local terms energy: -197.404147 where: bonds (distance) C4'-P energy: -58.613 bonds (distance) P-C4' energy: -55.024 flat angles C4'-P-C4' energy: -49.521 flat angles P-C4'-P energy: -16.341 tors. eta vs tors. theta energy: -17.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1088.163266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.163266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.163266 (E_RNA) where: Base-Base interactions energy: -712.158 where: short stacking energy: -334.467 Base-Backbone interact. energy: 2.433 local terms energy: -378.437347 where: bonds (distance) C4'-P energy: -70.384 bonds (distance) P-C4' energy: -66.822 flat angles C4'-P-C4' energy: -79.193 flat angles P-C4'-P energy: -60.890 tors. eta vs tors. theta energy: -101.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1030.906710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.906710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.906710 (E_RNA) where: Base-Base interactions energy: -685.945 where: short stacking energy: -317.135 Base-Backbone interact. energy: -2.117 local terms energy: -342.845052 where: bonds (distance) C4'-P energy: -60.697 bonds (distance) P-C4' energy: -63.844 flat angles C4'-P-C4' energy: -79.097 flat angles P-C4'-P energy: -48.821 tors. eta vs tors. theta energy: -90.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -969.542877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.542877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.542877 (E_RNA) where: Base-Base interactions energy: -642.320 where: short stacking energy: -299.140 Base-Backbone interact. energy: -1.353 local terms energy: -325.869568 where: bonds (distance) C4'-P energy: -54.248 bonds (distance) P-C4' energy: -68.245 flat angles C4'-P-C4' energy: -73.012 flat angles P-C4'-P energy: -49.751 tors. eta vs tors. theta energy: -80.614 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: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -973.800432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.800432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.800432 (E_RNA) where: Base-Base interactions energy: -661.182 where: short stacking energy: -289.855 Base-Backbone interact. energy: 0.316 local terms energy: -312.934670 where: bonds (distance) C4'-P energy: -63.861 bonds (distance) P-C4' energy: -65.728 flat angles C4'-P-C4' energy: -71.496 flat angles P-C4'-P energy: -42.696 tors. eta vs tors. theta energy: -69.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -867.616997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.616997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.616997 (E_RNA) where: Base-Base interactions energy: -553.368 where: short stacking energy: -271.709 Base-Backbone interact. energy: -0.815 local terms energy: -313.433198 where: bonds (distance) C4'-P energy: -58.072 bonds (distance) P-C4' energy: -64.331 flat angles C4'-P-C4' energy: -72.879 flat angles P-C4'-P energy: -49.435 tors. eta vs tors. theta energy: -68.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -834.721755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.721755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.721755 (E_RNA) where: Base-Base interactions energy: -537.377 where: short stacking energy: -246.963 Base-Backbone interact. energy: 1.117 local terms energy: -298.461742 where: bonds (distance) C4'-P energy: -67.905 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -71.782 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: -58.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -612.815507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.815507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.815507 (E_RNA) where: Base-Base interactions energy: -363.362 where: short stacking energy: -204.657 Base-Backbone interact. energy: 4.182 local terms energy: -253.635708 where: bonds (distance) C4'-P energy: -63.422 bonds (distance) P-C4' energy: -57.429 flat angles C4'-P-C4' energy: -64.194 flat angles P-C4'-P energy: -24.226 tors. eta vs tors. theta energy: -44.364 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: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -638.245045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.245045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.245045 (E_RNA) where: Base-Base interactions energy: -394.760 where: short stacking energy: -210.185 Base-Backbone interact. energy: -1.074 local terms energy: -242.410892 where: bonds (distance) C4'-P energy: -54.622 bonds (distance) P-C4' energy: -50.862 flat angles C4'-P-C4' energy: -64.991 flat angles P-C4'-P energy: -35.218 tors. eta vs tors. theta energy: -36.717 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: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -521.485204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.485204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.485204 (E_RNA) where: Base-Base interactions energy: -281.797 where: short stacking energy: -155.175 Base-Backbone interact. energy: -1.201 local terms energy: -238.486880 where: bonds (distance) C4'-P energy: -49.514 bonds (distance) P-C4' energy: -65.649 flat angles C4'-P-C4' energy: -60.463 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -23.569 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: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -367.873940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.873940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.873940 (E_RNA) where: Base-Base interactions energy: -178.254 where: short stacking energy: -113.656 Base-Backbone interact. energy: 0.759 local terms energy: -190.378964 where: bonds (distance) C4'-P energy: -53.767 bonds (distance) P-C4' energy: -53.237 flat angles C4'-P-C4' energy: -41.070 flat angles P-C4'-P energy: -19.505 tors. eta vs tors. theta energy: -22.800 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: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1085.443805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.443805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.443805 (E_RNA) where: Base-Base interactions energy: -714.993 where: short stacking energy: -333.056 Base-Backbone interact. energy: -2.570 local terms energy: -367.880237 where: bonds (distance) C4'-P energy: -66.011 bonds (distance) P-C4' energy: -68.963 flat angles C4'-P-C4' energy: -83.087 flat angles P-C4'-P energy: -52.275 tors. eta vs tors. theta energy: -97.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1013.456424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.456424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.456424 (E_RNA) where: Base-Base interactions energy: -668.527 where: short stacking energy: -311.093 Base-Backbone interact. energy: 0.708 local terms energy: -345.638067 where: bonds (distance) C4'-P energy: -69.387 bonds (distance) P-C4' energy: -77.290 flat angles C4'-P-C4' energy: -80.846 flat angles P-C4'-P energy: -40.009 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: 3, replica: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -989.482982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.482982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.482982 (E_RNA) where: Base-Base interactions energy: -656.589 where: short stacking energy: -308.267 Base-Backbone interact. energy: -2.725 local terms energy: -330.168729 where: bonds (distance) C4'-P energy: -60.745 bonds (distance) P-C4' energy: -53.445 flat angles C4'-P-C4' energy: -76.553 flat angles P-C4'-P energy: -50.985 tors. eta vs tors. theta energy: -88.442 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: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -981.535628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.535628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.535628 (E_RNA) where: Base-Base interactions energy: -645.457 where: short stacking energy: -263.446 Base-Backbone interact. energy: -0.472 local terms energy: -335.606882 where: bonds (distance) C4'-P energy: -70.577 bonds (distance) P-C4' energy: -70.637 flat angles C4'-P-C4' energy: -71.842 flat angles P-C4'-P energy: -47.285 tors. eta vs tors. theta energy: -75.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -827.947078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.947078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.947078 (E_RNA) where: Base-Base interactions energy: -525.697 where: short stacking energy: -265.496 Base-Backbone interact. energy: 2.322 local terms energy: -304.572240 where: bonds (distance) C4'-P energy: -60.009 bonds (distance) P-C4' energy: -67.669 flat angles C4'-P-C4' energy: -58.652 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -66.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -852.770160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.770160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.770160 (E_RNA) where: Base-Base interactions energy: -558.505 where: short stacking energy: -261.704 Base-Backbone interact. energy: -0.159 local terms energy: -294.105814 where: bonds (distance) C4'-P energy: -59.186 bonds (distance) P-C4' energy: -71.847 flat angles C4'-P-C4' energy: -73.421 flat angles P-C4'-P energy: -31.834 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: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -620.482519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.482519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.482519 (E_RNA) where: Base-Base interactions energy: -342.395 where: short stacking energy: -179.229 Base-Backbone interact. energy: -0.608 local terms energy: -277.479399 where: bonds (distance) C4'-P energy: -67.228 bonds (distance) P-C4' energy: -55.904 flat angles C4'-P-C4' energy: -62.378 flat angles P-C4'-P energy: -44.465 tors. eta vs tors. theta energy: -47.504 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: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -610.667234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667234 (E_RNA) where: Base-Base interactions energy: -372.681 where: short stacking energy: -170.146 Base-Backbone interact. energy: 1.714 local terms energy: -239.700378 where: bonds (distance) C4'-P energy: -49.972 bonds (distance) P-C4' energy: -58.625 flat angles C4'-P-C4' energy: -59.776 flat angles P-C4'-P energy: -34.059 tors. eta vs tors. theta energy: -37.269 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: 109 Temperature: 1.300000 Total energy: -460.465568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.465568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.465568 (E_RNA) where: Base-Base interactions energy: -255.715 where: short stacking energy: -143.996 Base-Backbone interact. energy: -1.246 local terms energy: -203.504571 where: bonds (distance) C4'-P energy: -45.011 bonds (distance) P-C4' energy: -66.493 flat angles C4'-P-C4' energy: -47.784 flat angles P-C4'-P energy: -32.068 tors. eta vs tors. theta energy: -12.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -415.993677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.993677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.993677 (E_RNA) where: Base-Base interactions energy: -214.337 where: short stacking energy: -126.986 Base-Backbone interact. energy: -0.463 local terms energy: -201.194282 where: bonds (distance) C4'-P energy: -59.742 bonds (distance) P-C4' energy: -45.792 flat angles C4'-P-C4' energy: -51.725 flat angles P-C4'-P energy: -32.501 tors. eta vs tors. theta energy: -11.433 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: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1076.701508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.701508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.701508 (E_RNA) where: Base-Base interactions energy: -719.168 where: short stacking energy: -327.722 Base-Backbone interact. energy: -3.367 local terms energy: -354.167144 where: bonds (distance) C4'-P energy: -59.098 bonds (distance) P-C4' energy: -74.677 flat angles C4'-P-C4' energy: -76.544 flat angles P-C4'-P energy: -50.034 tors. eta vs tors. theta energy: -93.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1019.182993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.182993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.182993 (E_RNA) where: Base-Base interactions energy: -670.001 where: short stacking energy: -320.580 Base-Backbone interact. energy: 0.712 local terms energy: -349.893573 where: bonds (distance) C4'-P energy: -64.669 bonds (distance) P-C4' energy: -74.355 flat angles C4'-P-C4' energy: -75.044 flat angles P-C4'-P energy: -53.943 tors. eta vs tors. theta energy: -81.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1028.260137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.260137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.260137 (E_RNA) where: Base-Base interactions energy: -697.440 where: short stacking energy: -297.836 Base-Backbone interact. energy: 0.391 local terms energy: -331.211580 where: bonds (distance) C4'-P energy: -50.297 bonds (distance) P-C4' energy: -69.652 flat angles C4'-P-C4' energy: -78.313 flat angles P-C4'-P energy: -54.568 tors. eta vs tors. theta energy: -78.381 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: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -936.843106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.843106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.843106 (E_RNA) where: Base-Base interactions energy: -616.207 where: short stacking energy: -286.794 Base-Backbone interact. energy: -0.187 local terms energy: -320.448824 where: bonds (distance) C4'-P energy: -58.461 bonds (distance) P-C4' energy: -54.952 flat angles C4'-P-C4' energy: -76.230 flat angles P-C4'-P energy: -47.000 tors. eta vs tors. theta energy: -83.806 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: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -897.661410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.661410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.661410 (E_RNA) where: Base-Base interactions energy: -604.733 where: short stacking energy: -278.718 Base-Backbone interact. energy: -0.143 local terms energy: -292.785137 where: bonds (distance) C4'-P energy: -47.867 bonds (distance) P-C4' energy: -61.400 flat angles C4'-P-C4' energy: -66.488 flat angles P-C4'-P energy: -42.344 tors. eta vs tors. theta energy: -74.686 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: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -818.737353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.737353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.737353 (E_RNA) where: Base-Base interactions energy: -530.324 where: short stacking energy: -259.225 Base-Backbone interact. energy: -0.080 local terms energy: -288.333695 where: bonds (distance) C4'-P energy: -55.359 bonds (distance) P-C4' energy: -61.745 flat angles C4'-P-C4' energy: -61.530 flat angles P-C4'-P energy: -46.231 tors. eta vs tors. theta energy: -63.469 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: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -607.185640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.185640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.185640 (E_RNA) where: Base-Base interactions energy: -353.940 where: short stacking energy: -197.726 Base-Backbone interact. energy: -0.601 local terms energy: -252.645137 where: bonds (distance) C4'-P energy: -56.960 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -55.058 flat angles P-C4'-P energy: -41.029 tors. eta vs tors. theta energy: -40.555 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: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -596.071174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.071174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.071174 (E_RNA) where: Base-Base interactions energy: -354.302 where: short stacking energy: -198.067 Base-Backbone interact. energy: 0.854 local terms energy: -242.622750 where: bonds (distance) C4'-P energy: -45.509 bonds (distance) P-C4' energy: -60.765 flat angles C4'-P-C4' energy: -63.999 flat angles P-C4'-P energy: -32.557 tors. eta vs tors. theta energy: -39.793 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: 110 Temperature: 1.300000 Total energy: -476.204053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.204053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.204053 (E_RNA) where: Base-Base interactions energy: -266.447 where: short stacking energy: -156.260 Base-Backbone interact. energy: -1.647 local terms energy: -208.110250 where: bonds (distance) C4'-P energy: -57.352 bonds (distance) P-C4' energy: -61.103 flat angles C4'-P-C4' energy: -52.074 flat angles P-C4'-P energy: -22.631 tors. eta vs tors. theta energy: -14.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -388.991476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.991476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.991476 (E_RNA) where: Base-Base interactions energy: -191.379 where: short stacking energy: -109.009 Base-Backbone interact. energy: -1.058 local terms energy: -196.555369 where: bonds (distance) C4'-P energy: -53.177 bonds (distance) P-C4' energy: -57.030 flat angles C4'-P-C4' energy: -40.536 flat angles P-C4'-P energy: -35.350 tors. eta vs tors. theta energy: -10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1080.454525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.454525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.454525 (E_RNA) where: Base-Base interactions energy: -726.867 where: short stacking energy: -320.476 Base-Backbone interact. energy: 1.451 local terms energy: -355.038798 where: bonds (distance) C4'-P energy: -73.804 bonds (distance) P-C4' energy: -69.494 flat angles C4'-P-C4' energy: -76.365 flat angles P-C4'-P energy: -50.661 tors. eta vs tors. theta energy: -84.715 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: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -987.392563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.392563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.392563 (E_RNA) where: Base-Base interactions energy: -651.164 where: short stacking energy: -318.195 Base-Backbone interact. energy: -0.872 local terms energy: -335.356396 where: bonds (distance) C4'-P energy: -67.662 bonds (distance) P-C4' energy: -64.088 flat angles C4'-P-C4' energy: -73.388 flat angles P-C4'-P energy: -45.651 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: 3, replica: 9 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1023.055100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.055100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.055100 (E_RNA) where: Base-Base interactions energy: -686.630 where: short stacking energy: -291.727 Base-Backbone interact. energy: -1.929 local terms energy: -334.496273 where: bonds (distance) C4'-P energy: -68.571 bonds (distance) P-C4' energy: -59.051 flat angles C4'-P-C4' energy: -76.129 flat angles P-C4'-P energy: -58.145 tors. eta vs tors. theta energy: -72.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -964.455923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.455923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.455923 (E_RNA) where: Base-Base interactions energy: -634.976 where: short stacking energy: -307.539 Base-Backbone interact. energy: -1.040 local terms energy: -328.440019 where: bonds (distance) C4'-P energy: -67.067 bonds (distance) P-C4' energy: -59.128 flat angles C4'-P-C4' energy: -69.928 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -83.216 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: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -874.789061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.789061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.789061 (E_RNA) where: Base-Base interactions energy: -562.305 where: short stacking energy: -254.897 Base-Backbone interact. energy: 0.026 local terms energy: -312.509848 where: bonds (distance) C4'-P energy: -62.279 bonds (distance) P-C4' energy: -69.321 flat angles C4'-P-C4' energy: -60.821 flat angles P-C4'-P energy: -49.458 tors. eta vs tors. theta energy: -70.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -815.306286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.306286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.306286 (E_RNA) where: Base-Base interactions energy: -511.425 where: short stacking energy: -242.697 Base-Backbone interact. energy: 1.420 local terms energy: -305.300585 where: bonds (distance) C4'-P energy: -62.893 bonds (distance) P-C4' energy: -66.160 flat angles C4'-P-C4' energy: -70.880 flat angles P-C4'-P energy: -49.142 tors. eta vs tors. theta energy: -56.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -601.121534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.121534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.121534 (E_RNA) where: Base-Base interactions energy: -340.261 where: short stacking energy: -165.492 Base-Backbone interact. energy: -0.833 local terms energy: -260.027677 where: bonds (distance) C4'-P energy: -63.787 bonds (distance) P-C4' energy: -60.114 flat angles C4'-P-C4' energy: -61.489 flat angles P-C4'-P energy: -38.617 tors. eta vs tors. theta energy: -36.021 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: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -640.984279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.984279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.984279 (E_RNA) where: Base-Base interactions energy: -395.743 where: short stacking energy: -205.484 Base-Backbone interact. energy: 1.967 local terms energy: -247.208264 where: bonds (distance) C4'-P energy: -56.317 bonds (distance) P-C4' energy: -62.841 flat angles C4'-P-C4' energy: -69.591 flat angles P-C4'-P energy: -22.891 tors. eta vs tors. theta energy: -35.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -436.786970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.786970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.786970 (E_RNA) where: Base-Base interactions energy: -226.946 where: short stacking energy: -132.705 Base-Backbone interact. energy: -1.052 local terms energy: -208.789481 where: bonds (distance) C4'-P energy: -52.965 bonds (distance) P-C4' energy: -62.391 flat angles C4'-P-C4' energy: -42.277 flat angles P-C4'-P energy: -38.849 tors. eta vs tors. theta energy: -12.308 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: 111 Temperature: 1.350000 Total energy: -342.152615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.152615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.152615 (E_RNA) where: Base-Base interactions energy: -165.302 where: short stacking energy: -102.743 Base-Backbone interact. energy: -1.941 local terms energy: -174.909661 where: bonds (distance) C4'-P energy: -41.379 bonds (distance) P-C4' energy: -58.177 flat angles C4'-P-C4' energy: -50.551 flat angles P-C4'-P energy: -33.363 tors. eta vs tors. theta energy: 8.561 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: 112 Temperature: 0.900000 Total energy: -1092.708279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.708279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.708279 (E_RNA) where: Base-Base interactions energy: -743.783 where: short stacking energy: -331.216 Base-Backbone interact. energy: -3.035 local terms energy: -345.889859 where: bonds (distance) C4'-P energy: -60.466 bonds (distance) P-C4' energy: -72.783 flat angles C4'-P-C4' energy: -74.271 flat angles P-C4'-P energy: -45.960 tors. eta vs tors. theta energy: -92.410 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: 112 Temperature: 0.950000 Total energy: -1007.233986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.233986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.233986 (E_RNA) where: Base-Base interactions energy: -670.153 where: short stacking energy: -319.940 Base-Backbone interact. energy: 0.277 local terms energy: -337.358604 where: bonds (distance) C4'-P energy: -63.153 bonds (distance) P-C4' energy: -67.487 flat angles C4'-P-C4' energy: -72.929 flat angles P-C4'-P energy: -44.589 tors. eta vs tors. theta energy: -89.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -998.650255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.650255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.650255 (E_RNA) where: Base-Base interactions energy: -692.996 where: short stacking energy: -300.332 Base-Backbone interact. energy: 5.546 local terms energy: -311.200283 where: bonds (distance) C4'-P energy: -60.608 bonds (distance) P-C4' energy: -68.866 flat angles C4'-P-C4' energy: -60.398 flat angles P-C4'-P energy: -44.948 tors. eta vs tors. theta energy: -76.381 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: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -960.363740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.363740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.363740 (E_RNA) where: Base-Base interactions energy: -640.511 where: short stacking energy: -301.853 Base-Backbone interact. energy: -1.786 local terms energy: -318.067031 where: bonds (distance) C4'-P energy: -57.866 bonds (distance) P-C4' energy: -57.975 flat angles C4'-P-C4' energy: -64.215 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -89.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -855.574586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.574586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.574586 (E_RNA) where: Base-Base interactions energy: -566.722 where: short stacking energy: -252.901 Base-Backbone interact. energy: -1.815 local terms energy: -287.037618 where: bonds (distance) C4'-P energy: -69.526 bonds (distance) P-C4' energy: -72.284 flat angles C4'-P-C4' energy: -63.454 flat angles P-C4'-P energy: -26.757 tors. eta vs tors. theta energy: -55.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -756.099189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.099189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.099189 (E_RNA) where: Base-Base interactions energy: -497.717 where: short stacking energy: -235.246 Base-Backbone interact. energy: -0.026 local terms energy: -258.355825 where: bonds (distance) C4'-P energy: -52.737 bonds (distance) P-C4' energy: -69.281 flat angles C4'-P-C4' energy: -55.107 flat angles P-C4'-P energy: -37.785 tors. eta vs tors. theta energy: -43.446 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: 112 Temperature: 1.200000 Total energy: -614.310277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.310277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.310277 (E_RNA) where: Base-Base interactions energy: -358.668 where: short stacking energy: -198.886 Base-Backbone interact. energy: -0.700 local terms energy: -254.942334 where: bonds (distance) C4'-P energy: -55.464 bonds (distance) P-C4' energy: -69.861 flat angles C4'-P-C4' energy: -58.689 flat angles P-C4'-P energy: -39.847 tors. eta vs tors. theta energy: -31.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -592.102284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.102284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.102284 (E_RNA) where: Base-Base interactions energy: -342.452 where: short stacking energy: -190.323 Base-Backbone interact. energy: -1.930 local terms energy: -247.720078 where: bonds (distance) C4'-P energy: -57.214 bonds (distance) P-C4' energy: -55.266 flat angles C4'-P-C4' energy: -68.384 flat angles P-C4'-P energy: -27.971 tors. eta vs tors. theta energy: -38.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -458.137582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.137582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.137582 (E_RNA) where: Base-Base interactions energy: -258.632 where: short stacking energy: -155.246 Base-Backbone interact. energy: -1.713 local terms energy: -197.792929 where: bonds (distance) C4'-P energy: -44.202 bonds (distance) P-C4' energy: -54.759 flat angles C4'-P-C4' energy: -54.924 flat angles P-C4'-P energy: -16.065 tors. eta vs tors. theta energy: -27.843 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: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -289.484386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.484386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.484386 (E_RNA) where: Base-Base interactions energy: -100.362 where: short stacking energy: -94.770 Base-Backbone interact. energy: 2.090 local terms energy: -191.212294 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -68.944 flat angles C4'-P-C4' energy: -32.047 flat angles P-C4'-P energy: -28.662 tors. eta vs tors. theta energy: -3.677 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: 113 Temperature: 0.900000 Total energy: -1093.853566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.853566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.853566 (E_RNA) where: Base-Base interactions energy: -739.962 where: short stacking energy: -338.091 Base-Backbone interact. energy: -3.480 local terms energy: -350.411661 where: bonds (distance) C4'-P energy: -69.332 bonds (distance) P-C4' energy: -60.936 flat angles C4'-P-C4' energy: -66.082 flat angles P-C4'-P energy: -54.042 tors. eta vs tors. theta energy: -100.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1032.128015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.128015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.128015 (E_RNA) where: Base-Base interactions energy: -702.221 where: short stacking energy: -331.263 Base-Backbone interact. energy: -0.942 local terms energy: -328.965511 where: bonds (distance) C4'-P energy: -59.923 bonds (distance) P-C4' energy: -55.232 flat angles C4'-P-C4' energy: -75.992 flat angles P-C4'-P energy: -44.526 tors. eta vs tors. theta energy: -93.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -964.373500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.373500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.373500 (E_RNA) where: Base-Base interactions energy: -640.387 where: short stacking energy: -313.168 Base-Backbone interact. energy: 0.121 local terms energy: -324.107487 where: bonds (distance) C4'-P energy: -59.139 bonds (distance) P-C4' energy: -54.206 flat angles C4'-P-C4' energy: -81.455 flat angles P-C4'-P energy: -49.558 tors. eta vs tors. theta energy: -79.749 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: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -882.365542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.365542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.365542 (E_RNA) where: Base-Base interactions energy: -560.729 where: short stacking energy: -256.835 Base-Backbone interact. energy: -2.866 local terms energy: -318.770164 where: bonds (distance) C4'-P energy: -56.821 bonds (distance) P-C4' energy: -68.444 flat angles C4'-P-C4' energy: -74.969 flat angles P-C4'-P energy: -50.277 tors. eta vs tors. theta energy: -68.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -933.523005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.523005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.523005 (E_RNA) where: Base-Base interactions energy: -603.991 where: short stacking energy: -275.297 Base-Backbone interact. energy: 0.112 local terms energy: -329.643782 where: bonds (distance) C4'-P energy: -67.080 bonds (distance) P-C4' energy: -66.289 flat angles C4'-P-C4' energy: -72.774 flat angles P-C4'-P energy: -46.324 tors. eta vs tors. theta energy: -77.177 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: 113 Temperature: 1.150000 Total energy: -795.614197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.614197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.614197 (E_RNA) where: Base-Base interactions energy: -506.837 where: short stacking energy: -256.011 Base-Backbone interact. energy: -0.853 local terms energy: -287.924018 where: bonds (distance) C4'-P energy: -54.853 bonds (distance) P-C4' energy: -64.182 flat angles C4'-P-C4' energy: -67.753 flat angles P-C4'-P energy: -33.982 tors. eta vs tors. theta energy: -67.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -599.597002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.597002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.597002 (E_RNA) where: Base-Base interactions energy: -357.596 where: short stacking energy: -194.876 Base-Backbone interact. energy: -1.955 local terms energy: -240.046464 where: bonds (distance) C4'-P energy: -59.841 bonds (distance) P-C4' energy: -45.787 flat angles C4'-P-C4' energy: -57.815 flat angles P-C4'-P energy: -38.720 tors. eta vs tors. theta energy: -37.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -624.040378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.040378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.040378 (E_RNA) where: Base-Base interactions energy: -367.681 where: short stacking energy: -182.432 Base-Backbone interact. energy: -1.591 local terms energy: -254.768826 where: bonds (distance) C4'-P energy: -59.519 bonds (distance) P-C4' energy: -61.277 flat angles C4'-P-C4' energy: -50.262 flat angles P-C4'-P energy: -34.535 tors. eta vs tors. theta energy: -49.176 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: 113 Temperature: 1.300000 Total energy: -448.596468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.596468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.596468 (E_RNA) where: Base-Base interactions energy: -228.019 where: short stacking energy: -126.229 Base-Backbone interact. energy: -1.114 local terms energy: -219.464065 where: bonds (distance) C4'-P energy: -62.344 bonds (distance) P-C4' energy: -63.119 flat angles C4'-P-C4' energy: -36.122 flat angles P-C4'-P energy: -42.633 tors. eta vs tors. theta energy: -15.247 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: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -308.068610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.068610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.068610 (E_RNA) where: Base-Base interactions energy: -100.896 where: short stacking energy: -83.385 Base-Backbone interact. energy: 0.694 local terms energy: -207.865993 where: bonds (distance) C4'-P energy: -53.606 bonds (distance) P-C4' energy: -63.950 flat angles C4'-P-C4' energy: -56.438 flat angles P-C4'-P energy: -26.344 tors. eta vs tors. theta energy: -7.529 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: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1094.223799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.223799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.223799 (E_RNA) where: Base-Base interactions energy: -724.733 where: short stacking energy: -342.525 Base-Backbone interact. energy: 1.006 local terms energy: -370.497711 where: bonds (distance) C4'-P energy: -67.811 bonds (distance) P-C4' energy: -71.436 flat angles C4'-P-C4' energy: -74.902 flat angles P-C4'-P energy: -61.868 tors. eta vs tors. theta energy: -94.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1051.923228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.923228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.923228 (E_RNA) where: Base-Base interactions energy: -712.904 where: short stacking energy: -320.992 Base-Backbone interact. energy: -0.376 local terms energy: -338.643697 where: bonds (distance) C4'-P energy: -68.328 bonds (distance) P-C4' energy: -68.082 flat angles C4'-P-C4' energy: -66.934 flat angles P-C4'-P energy: -51.679 tors. eta vs tors. theta energy: -83.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -947.397597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.397597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.397597 (E_RNA) where: Base-Base interactions energy: -616.892 where: short stacking energy: -280.560 Base-Backbone interact. energy: -0.033 local terms energy: -330.472823 where: bonds (distance) C4'-P energy: -67.713 bonds (distance) P-C4' energy: -68.287 flat angles C4'-P-C4' energy: -73.039 flat angles P-C4'-P energy: -45.376 tors. eta vs tors. theta energy: -76.057 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: 4, replica: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -900.070951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.070951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.070951 (E_RNA) where: Base-Base interactions energy: -583.843 where: short stacking energy: -260.986 Base-Backbone interact. energy: -1.879 local terms energy: -314.349831 where: bonds (distance) C4'-P energy: -70.899 bonds (distance) P-C4' energy: -66.598 flat angles C4'-P-C4' energy: -68.142 flat angles P-C4'-P energy: -42.633 tors. eta vs tors. theta energy: -66.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -933.547983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.547983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.547983 (E_RNA) where: Base-Base interactions energy: -606.440 where: short stacking energy: -286.455 Base-Backbone interact. energy: -1.222 local terms energy: -325.885357 where: bonds (distance) C4'-P energy: -68.048 bonds (distance) P-C4' energy: -56.282 flat angles C4'-P-C4' energy: -65.266 flat angles P-C4'-P energy: -53.758 tors. eta vs tors. theta energy: -82.531 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: 6, replica: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -772.105010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.105010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.105010 (E_RNA) where: Base-Base interactions energy: -489.468 where: short stacking energy: -249.787 Base-Backbone interact. energy: 1.986 local terms energy: -284.622803 where: bonds (distance) C4'-P energy: -57.457 bonds (distance) P-C4' energy: -59.277 flat angles C4'-P-C4' energy: -69.139 flat angles P-C4'-P energy: -39.131 tors. eta vs tors. theta energy: -59.618 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: 114 Temperature: 1.200000 Total energy: -602.764989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.764989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.764989 (E_RNA) where: Base-Base interactions energy: -345.794 where: short stacking energy: -195.110 Base-Backbone interact. energy: -0.814 local terms energy: -256.157128 where: bonds (distance) C4'-P energy: -60.717 bonds (distance) P-C4' energy: -53.989 flat angles C4'-P-C4' energy: -55.652 flat angles P-C4'-P energy: -42.711 tors. eta vs tors. theta energy: -43.088 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: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -577.688967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.688967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.688967 (E_RNA) where: Base-Base interactions energy: -318.447 where: short stacking energy: -171.788 Base-Backbone interact. energy: -1.586 local terms energy: -257.656267 where: bonds (distance) C4'-P energy: -60.896 bonds (distance) P-C4' energy: -65.878 flat angles C4'-P-C4' energy: -62.692 flat angles P-C4'-P energy: -30.368 tors. eta vs tors. theta energy: -37.822 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: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -456.187425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.187425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.187425 (E_RNA) where: Base-Base interactions energy: -249.791 where: short stacking energy: -134.280 Base-Backbone interact. energy: 1.752 local terms energy: -208.147724 where: bonds (distance) C4'-P energy: -65.988 bonds (distance) P-C4' energy: -60.349 flat angles C4'-P-C4' energy: -39.143 flat angles P-C4'-P energy: -33.646 tors. eta vs tors. theta energy: -9.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -301.283741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.283741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.283741 (E_RNA) where: Base-Base interactions energy: -96.173 where: short stacking energy: -69.575 Base-Backbone interact. energy: -0.980 local terms energy: -204.130041 where: bonds (distance) C4'-P energy: -64.639 bonds (distance) P-C4' energy: -59.502 flat angles C4'-P-C4' energy: -58.456 flat angles P-C4'-P energy: -28.471 tors. eta vs tors. theta energy: 6.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1104.822452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.822452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.822452 (E_RNA) where: Base-Base interactions energy: -738.428 where: short stacking energy: -345.367 Base-Backbone interact. energy: -2.119 local terms energy: -364.275810 where: bonds (distance) C4'-P energy: -70.890 bonds (distance) P-C4' energy: -66.217 flat angles C4'-P-C4' energy: -78.959 flat angles P-C4'-P energy: -52.273 tors. eta vs tors. theta energy: -95.936 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: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1004.166547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.166547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.166547 (E_RNA) where: Base-Base interactions energy: -663.322 where: short stacking energy: -293.763 Base-Backbone interact. energy: -1.575 local terms energy: -339.269573 where: bonds (distance) C4'-P energy: -67.043 bonds (distance) P-C4' energy: -67.314 flat angles C4'-P-C4' energy: -76.394 flat angles P-C4'-P energy: -49.939 tors. eta vs tors. theta energy: -78.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -981.194984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.194984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.194984 (E_RNA) where: Base-Base interactions energy: -638.802 where: short stacking energy: -290.931 Base-Backbone interact. energy: -0.417 local terms energy: -341.975748 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -73.763 flat angles C4'-P-C4' energy: -74.184 flat angles P-C4'-P energy: -51.641 tors. eta vs tors. theta energy: -80.560 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: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -954.437190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.437190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.437190 (E_RNA) where: Base-Base interactions energy: -626.435 where: short stacking energy: -303.410 Base-Backbone interact. energy: -0.965 local terms energy: -327.037283 where: bonds (distance) C4'-P energy: -55.621 bonds (distance) P-C4' energy: -73.934 flat angles C4'-P-C4' energy: -68.797 flat angles P-C4'-P energy: -47.539 tors. eta vs tors. theta energy: -81.146 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: 115 Temperature: 1.100000 Total energy: -848.193608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.193608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.193608 (E_RNA) where: Base-Base interactions energy: -535.514 where: short stacking energy: -248.884 Base-Backbone interact. energy: 2.563 local terms energy: -315.242286 where: bonds (distance) C4'-P energy: -66.664 bonds (distance) P-C4' energy: -63.490 flat angles C4'-P-C4' energy: -74.472 flat angles P-C4'-P energy: -47.907 tors. eta vs tors. theta energy: -62.709 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: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -762.904628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.904628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.904628 (E_RNA) where: Base-Base interactions energy: -492.774 where: short stacking energy: -231.657 Base-Backbone interact. energy: 2.231 local terms energy: -272.361944 where: bonds (distance) C4'-P energy: -64.532 bonds (distance) P-C4' energy: -59.225 flat angles C4'-P-C4' energy: -52.199 flat angles P-C4'-P energy: -41.072 tors. eta vs tors. theta energy: -55.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -661.963352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.963352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.963352 (E_RNA) where: Base-Base interactions energy: -404.620 where: short stacking energy: -215.247 Base-Backbone interact. energy: -0.948 local terms energy: -256.395008 where: bonds (distance) C4'-P energy: -47.756 bonds (distance) P-C4' energy: -56.856 flat angles C4'-P-C4' energy: -58.729 flat angles P-C4'-P energy: -47.781 tors. eta vs tors. theta energy: -45.273 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: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -590.625688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.625688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.625688 (E_RNA) where: Base-Base interactions energy: -343.855 where: short stacking energy: -163.225 Base-Backbone interact. energy: -0.300 local terms energy: -246.471176 where: bonds (distance) C4'-P energy: -53.727 bonds (distance) P-C4' energy: -61.690 flat angles C4'-P-C4' energy: -60.840 flat angles P-C4'-P energy: -37.927 tors. eta vs tors. theta energy: -32.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -474.007780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.007780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.007780 (E_RNA) where: Base-Base interactions energy: -253.516 where: short stacking energy: -151.284 Base-Backbone interact. energy: 2.806 local terms energy: -223.297422 where: bonds (distance) C4'-P energy: -54.311 bonds (distance) P-C4' energy: -57.547 flat angles C4'-P-C4' energy: -50.896 flat angles P-C4'-P energy: -38.602 tors. eta vs tors. theta energy: -21.941 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: 115 Temperature: 1.350000 Total energy: -296.574237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.574237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.574237 (E_RNA) where: Base-Base interactions energy: -132.489 where: short stacking energy: -91.384 Base-Backbone interact. energy: 0.298 local terms energy: -164.383521 where: bonds (distance) C4'-P energy: -68.123 bonds (distance) P-C4' energy: -52.469 flat angles C4'-P-C4' energy: -26.828 flat angles P-C4'-P energy: -27.050 tors. eta vs tors. theta energy: 10.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1082.303032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.303032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.303032 (E_RNA) where: Base-Base interactions energy: -726.627 where: short stacking energy: -355.417 Base-Backbone interact. energy: -0.481 local terms energy: -355.194871 where: bonds (distance) C4'-P energy: -74.296 bonds (distance) P-C4' energy: -67.837 flat angles C4'-P-C4' energy: -73.373 flat angles P-C4'-P energy: -46.877 tors. eta vs tors. theta energy: -92.811 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: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1042.058474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.058474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.058474 (E_RNA) where: Base-Base interactions energy: -698.790 where: short stacking energy: -306.732 Base-Backbone interact. energy: -0.877 local terms energy: -342.391152 where: bonds (distance) C4'-P energy: -66.593 bonds (distance) P-C4' energy: -66.142 flat angles C4'-P-C4' energy: -70.994 flat angles P-C4'-P energy: -58.527 tors. eta vs tors. theta energy: -80.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -993.895177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.895177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.895177 (E_RNA) where: Base-Base interactions energy: -645.434 where: short stacking energy: -303.328 Base-Backbone interact. energy: -0.764 local terms energy: -347.697006 where: bonds (distance) C4'-P energy: -65.358 bonds (distance) P-C4' energy: -66.789 flat angles C4'-P-C4' energy: -73.790 flat angles P-C4'-P energy: -55.614 tors. eta vs tors. theta energy: -86.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -920.127859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.127859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.127859 (E_RNA) where: Base-Base interactions energy: -608.755 where: short stacking energy: -280.240 Base-Backbone interact. energy: -0.981 local terms energy: -310.391847 where: bonds (distance) C4'-P energy: -60.986 bonds (distance) P-C4' energy: -62.908 flat angles C4'-P-C4' energy: -71.318 flat angles P-C4'-P energy: -40.330 tors. eta vs tors. theta energy: -74.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -871.251542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.251542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.251542 (E_RNA) where: Base-Base interactions energy: -572.663 where: short stacking energy: -270.847 Base-Backbone interact. energy: -1.909 local terms energy: -296.678916 where: bonds (distance) C4'-P energy: -62.740 bonds (distance) P-C4' energy: -56.591 flat angles C4'-P-C4' energy: -65.860 flat angles P-C4'-P energy: -34.150 tors. eta vs tors. theta energy: -77.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -791.835276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.835276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.835276 (E_RNA) where: Base-Base interactions energy: -501.129 where: short stacking energy: -255.806 Base-Backbone interact. energy: 2.240 local terms energy: -292.946129 where: bonds (distance) C4'-P energy: -43.190 bonds (distance) P-C4' energy: -66.104 flat angles C4'-P-C4' energy: -70.711 flat angles P-C4'-P energy: -50.200 tors. eta vs tors. theta energy: -62.741 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: 116 Temperature: 1.200000 Total energy: -645.292122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.292122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.292122 (E_RNA) where: Base-Base interactions energy: -399.282 where: short stacking energy: -198.467 Base-Backbone interact. energy: 0.032 local terms energy: -246.042203 where: bonds (distance) C4'-P energy: -53.791 bonds (distance) P-C4' energy: -50.554 flat angles C4'-P-C4' energy: -57.570 flat angles P-C4'-P energy: -43.399 tors. eta vs tors. theta energy: -40.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -541.296071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.296071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.296071 (E_RNA) where: Base-Base interactions energy: -293.320 where: short stacking energy: -156.022 Base-Backbone interact. energy: -1.437 local terms energy: -246.538672 where: bonds (distance) C4'-P energy: -56.001 bonds (distance) P-C4' energy: -62.671 flat angles C4'-P-C4' energy: -68.207 flat angles P-C4'-P energy: -30.084 tors. eta vs tors. theta energy: -29.577 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: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -498.195703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.195703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.195703 (E_RNA) where: Base-Base interactions energy: -281.432 where: short stacking energy: -145.161 Base-Backbone interact. energy: 2.413 local terms energy: -219.177250 where: bonds (distance) C4'-P energy: -65.199 bonds (distance) P-C4' energy: -56.177 flat angles C4'-P-C4' energy: -52.999 flat angles P-C4'-P energy: -32.576 tors. eta vs tors. theta energy: -12.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -299.352478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.352478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.352478 (E_RNA) where: Base-Base interactions energy: -112.839 where: short stacking energy: -104.182 Base-Backbone interact. energy: 0.603 local terms energy: -187.116986 where: bonds (distance) C4'-P energy: -38.742 bonds (distance) P-C4' energy: -64.868 flat angles C4'-P-C4' energy: -54.877 flat angles P-C4'-P energy: -32.045 tors. eta vs tors. theta energy: 3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1101.714755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.714755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.714755 (E_RNA) where: Base-Base interactions energy: -738.458 where: short stacking energy: -351.247 Base-Backbone interact. energy: -0.630 local terms energy: -362.626988 where: bonds (distance) C4'-P energy: -70.538 bonds (distance) P-C4' energy: -73.809 flat angles C4'-P-C4' energy: -75.092 flat angles P-C4'-P energy: -47.293 tors. eta vs tors. theta energy: -95.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1025.260761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.260761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.260761 (E_RNA) where: Base-Base interactions energy: -689.346 where: short stacking energy: -323.457 Base-Backbone interact. energy: 0.744 local terms energy: -336.659532 where: bonds (distance) C4'-P energy: -71.401 bonds (distance) P-C4' energy: -66.427 flat angles C4'-P-C4' energy: -70.015 flat angles P-C4'-P energy: -45.309 tors. eta vs tors. theta energy: -83.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1011.450295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.450295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.450295 (E_RNA) where: Base-Base interactions energy: -677.508 where: short stacking energy: -323.569 Base-Backbone interact. energy: -0.178 local terms energy: -333.765121 where: bonds (distance) C4'-P energy: -51.153 bonds (distance) P-C4' energy: -71.322 flat angles C4'-P-C4' energy: -82.279 flat angles P-C4'-P energy: -39.100 tors. eta vs tors. theta energy: -89.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -918.649352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.649352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.649352 (E_RNA) where: Base-Base interactions energy: -589.860 where: short stacking energy: -279.160 Base-Backbone interact. energy: -0.094 local terms energy: -328.694990 where: bonds (distance) C4'-P energy: -69.310 bonds (distance) P-C4' energy: -65.919 flat angles C4'-P-C4' energy: -74.123 flat angles P-C4'-P energy: -46.410 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: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -857.748684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.748684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.748684 (E_RNA) where: Base-Base interactions energy: -550.782 where: short stacking energy: -238.070 Base-Backbone interact. energy: -0.268 local terms energy: -306.699306 where: bonds (distance) C4'-P energy: -59.166 bonds (distance) P-C4' energy: -71.297 flat angles C4'-P-C4' energy: -70.575 flat angles P-C4'-P energy: -48.639 tors. eta vs tors. theta energy: -57.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -776.702785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.702785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.702785 (E_RNA) where: Base-Base interactions energy: -486.075 where: short stacking energy: -240.669 Base-Backbone interact. energy: -1.150 local terms energy: -289.477057 where: bonds (distance) C4'-P energy: -61.368 bonds (distance) P-C4' energy: -61.872 flat angles C4'-P-C4' energy: -71.131 flat angles P-C4'-P energy: -37.057 tors. eta vs tors. theta energy: -58.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -622.219649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.219649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.219649 (E_RNA) where: Base-Base interactions energy: -361.574 where: short stacking energy: -186.241 Base-Backbone interact. energy: -1.347 local terms energy: -259.298103 where: bonds (distance) C4'-P energy: -56.544 bonds (distance) P-C4' energy: -65.577 flat angles C4'-P-C4' energy: -59.849 flat angles P-C4'-P energy: -33.002 tors. eta vs tors. theta energy: -44.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -539.942296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.942296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.942296 (E_RNA) where: Base-Base interactions energy: -300.780 where: short stacking energy: -155.572 Base-Backbone interact. energy: -1.094 local terms energy: -238.067383 where: bonds (distance) C4'-P energy: -54.784 bonds (distance) P-C4' energy: -60.563 flat angles C4'-P-C4' energy: -62.523 flat angles P-C4'-P energy: -30.189 tors. eta vs tors. theta energy: -30.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -499.249712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.249712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.249712 (E_RNA) where: Base-Base interactions energy: -262.680 where: short stacking energy: -133.893 Base-Backbone interact. energy: 1.087 local terms energy: -237.656410 where: bonds (distance) C4'-P energy: -58.193 bonds (distance) P-C4' energy: -68.888 flat angles C4'-P-C4' energy: -50.751 flat angles P-C4'-P energy: -33.739 tors. eta vs tors. theta energy: -26.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -294.694674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.694674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.694674 (E_RNA) where: Base-Base interactions energy: -106.320 where: short stacking energy: -64.211 Base-Backbone interact. energy: 4.716 local terms energy: -193.089949 where: bonds (distance) C4'-P energy: -45.736 bonds (distance) P-C4' energy: -70.760 flat angles C4'-P-C4' energy: -63.938 flat angles P-C4'-P energy: -18.776 tors. eta vs tors. theta energy: 6.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1088.238265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.238265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.238265 (E_RNA) where: Base-Base interactions energy: -724.290 where: short stacking energy: -355.604 Base-Backbone interact. energy: 0.301 local terms energy: -364.249507 where: bonds (distance) C4'-P energy: -71.918 bonds (distance) P-C4' energy: -68.442 flat angles C4'-P-C4' energy: -79.371 flat angles P-C4'-P energy: -48.211 tors. eta vs tors. theta energy: -96.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1009.356176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.356176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.356176 (E_RNA) where: Base-Base interactions energy: -682.172 where: short stacking energy: -304.657 Base-Backbone interact. energy: 3.318 local terms energy: -330.501564 where: bonds (distance) C4'-P energy: -61.555 bonds (distance) P-C4' energy: -78.457 flat angles C4'-P-C4' energy: -67.150 flat angles P-C4'-P energy: -47.818 tors. eta vs tors. theta energy: -75.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1000.029504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.029504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.029504 (E_RNA) where: Base-Base interactions energy: -657.109 where: short stacking energy: -308.800 Base-Backbone interact. energy: 1.739 local terms energy: -344.659484 where: bonds (distance) C4'-P energy: -65.160 bonds (distance) P-C4' energy: -61.500 flat angles C4'-P-C4' energy: -78.281 flat angles P-C4'-P energy: -50.862 tors. eta vs tors. theta energy: -88.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -934.464785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.464785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.464785 (E_RNA) where: Base-Base interactions energy: -603.353 where: short stacking energy: -274.440 Base-Backbone interact. energy: -1.710 local terms energy: -329.401489 where: bonds (distance) C4'-P energy: -63.351 bonds (distance) P-C4' energy: -69.784 flat angles C4'-P-C4' energy: -71.341 flat angles P-C4'-P energy: -50.102 tors. eta vs tors. theta energy: -74.824 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: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -847.119920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.119920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.119920 (E_RNA) where: Base-Base interactions energy: -549.978 where: short stacking energy: -260.753 Base-Backbone interact. energy: -1.600 local terms energy: -295.541661 where: bonds (distance) C4'-P energy: -53.734 bonds (distance) P-C4' energy: -63.095 flat angles C4'-P-C4' energy: -76.776 flat angles P-C4'-P energy: -35.840 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: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -776.782510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.782510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.782510 (E_RNA) where: Base-Base interactions energy: -493.210 where: short stacking energy: -235.745 Base-Backbone interact. energy: -0.854 local terms energy: -282.718365 where: bonds (distance) C4'-P energy: -61.853 bonds (distance) P-C4' energy: -59.126 flat angles C4'-P-C4' energy: -63.578 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -47.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -608.153741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.153741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.153741 (E_RNA) where: Base-Base interactions energy: -356.037 where: short stacking energy: -196.884 Base-Backbone interact. energy: 1.659 local terms energy: -253.775462 where: bonds (distance) C4'-P energy: -57.446 bonds (distance) P-C4' energy: -61.723 flat angles C4'-P-C4' energy: -51.701 flat angles P-C4'-P energy: -41.357 tors. eta vs tors. theta energy: -41.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -545.935436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.935436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.935436 (E_RNA) where: Base-Base interactions energy: -318.684 where: short stacking energy: -164.925 Base-Backbone interact. energy: -1.392 local terms energy: -225.859316 where: bonds (distance) C4'-P energy: -52.422 bonds (distance) P-C4' energy: -55.834 flat angles C4'-P-C4' energy: -52.886 flat angles P-C4'-P energy: -37.360 tors. eta vs tors. theta energy: -27.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -447.282959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.282959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.282959 (E_RNA) where: Base-Base interactions energy: -238.540 where: short stacking energy: -135.786 Base-Backbone interact. energy: 3.071 local terms energy: -211.813508 where: bonds (distance) C4'-P energy: -53.563 bonds (distance) P-C4' energy: -59.989 flat angles C4'-P-C4' energy: -58.763 flat angles P-C4'-P energy: -34.796 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -323.132772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.132772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.132772 (E_RNA) where: Base-Base interactions energy: -113.725 where: short stacking energy: -103.187 Base-Backbone interact. energy: 0.595 local terms energy: -210.002499 where: bonds (distance) C4'-P energy: -54.197 bonds (distance) P-C4' energy: -59.343 flat angles C4'-P-C4' energy: -57.621 flat angles P-C4'-P energy: -40.672 tors. eta vs tors. theta energy: 1.831 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: 119 Temperature: 0.900000 Total energy: -1076.208002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.208002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.208002 (E_RNA) where: Base-Base interactions energy: -717.177 where: short stacking energy: -327.082 Base-Backbone interact. energy: 0.195 local terms energy: -359.225925 where: bonds (distance) C4'-P energy: -72.738 bonds (distance) P-C4' energy: -68.242 flat angles C4'-P-C4' energy: -76.408 flat angles P-C4'-P energy: -53.068 tors. eta vs tors. theta energy: -88.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1042.158869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.158869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.158869 (E_RNA) where: Base-Base interactions energy: -695.745 where: short stacking energy: -331.294 Base-Backbone interact. energy: 0.314 local terms energy: -346.728506 where: bonds (distance) C4'-P energy: -65.499 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -79.859 flat angles P-C4'-P energy: -43.576 tors. eta vs tors. theta energy: -95.360 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: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1004.803166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.803166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.803166 (E_RNA) where: Base-Base interactions energy: -688.843 where: short stacking energy: -316.960 Base-Backbone interact. energy: 0.338 local terms energy: -316.298320 where: bonds (distance) C4'-P energy: -55.100 bonds (distance) P-C4' energy: -63.083 flat angles C4'-P-C4' energy: -67.566 flat angles P-C4'-P energy: -48.910 tors. eta vs tors. theta energy: -81.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -933.624201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.624201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.624201 (E_RNA) where: Base-Base interactions energy: -613.403 where: short stacking energy: -289.543 Base-Backbone interact. energy: 0.223 local terms energy: -320.444278 where: bonds (distance) C4'-P energy: -55.671 bonds (distance) P-C4' energy: -63.732 flat angles C4'-P-C4' energy: -71.137 flat angles P-C4'-P energy: -46.702 tors. eta vs tors. theta energy: -83.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -831.580065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.580065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.580065 (E_RNA) where: Base-Base interactions energy: -537.374 where: short stacking energy: -270.139 Base-Backbone interact. energy: -0.670 local terms energy: -293.536132 where: bonds (distance) C4'-P energy: -47.316 bonds (distance) P-C4' energy: -50.496 flat angles C4'-P-C4' energy: -69.651 flat angles P-C4'-P energy: -46.024 tors. eta vs tors. theta energy: -80.050 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: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -770.340707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.340707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.340707 (E_RNA) where: Base-Base interactions energy: -496.519 where: short stacking energy: -244.635 Base-Backbone interact. energy: 0.494 local terms energy: -274.315928 where: bonds (distance) C4'-P energy: -55.174 bonds (distance) P-C4' energy: -62.341 flat angles C4'-P-C4' energy: -65.729 flat angles P-C4'-P energy: -42.229 tors. eta vs tors. theta energy: -48.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -575.912381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.912381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.912381 (E_RNA) where: Base-Base interactions energy: -314.454 where: short stacking energy: -176.389 Base-Backbone interact. energy: 1.043 local terms energy: -262.501621 where: bonds (distance) C4'-P energy: -60.644 bonds (distance) P-C4' energy: -63.106 flat angles C4'-P-C4' energy: -59.423 flat angles P-C4'-P energy: -41.161 tors. eta vs tors. theta energy: -38.167 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: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -551.335805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.335805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.335805 (E_RNA) where: Base-Base interactions energy: -334.493 where: short stacking energy: -174.657 Base-Backbone interact. energy: -1.569 local terms energy: -215.273259 where: bonds (distance) C4'-P energy: -52.991 bonds (distance) P-C4' energy: -45.908 flat angles C4'-P-C4' energy: -58.693 flat angles P-C4'-P energy: -36.309 tors. eta vs tors. theta energy: -21.372 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: 119 Temperature: 1.300000 Total energy: -517.045836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.045836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.045836 (E_RNA) where: Base-Base interactions energy: -264.198 where: short stacking energy: -136.930 Base-Backbone interact. energy: -0.961 local terms energy: -251.887378 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -72.203 flat angles C4'-P-C4' energy: -56.751 flat angles P-C4'-P energy: -36.311 tors. eta vs tors. theta energy: -20.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -278.735276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.735276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.735276 (E_RNA) where: Base-Base interactions energy: -98.986 where: short stacking energy: -87.620 Base-Backbone interact. energy: 1.265 local terms energy: -181.014206 where: bonds (distance) C4'-P energy: -61.193 bonds (distance) P-C4' energy: -53.651 flat angles C4'-P-C4' energy: -32.851 flat angles P-C4'-P energy: -38.386 tors. eta vs tors. theta energy: 5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1064.755025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.755025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.755025 (E_RNA) where: Base-Base interactions energy: -692.154 where: short stacking energy: -332.586 Base-Backbone interact. energy: -0.365 local terms energy: -372.235420 where: bonds (distance) C4'-P energy: -77.713 bonds (distance) P-C4' energy: -73.754 flat angles C4'-P-C4' energy: -77.284 flat angles P-C4'-P energy: -52.597 tors. eta vs tors. theta energy: -90.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1042.820733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.820733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.820733 (E_RNA) where: Base-Base interactions energy: -692.034 where: short stacking energy: -323.287 Base-Backbone interact. energy: 0.662 local terms energy: -351.449199 where: bonds (distance) C4'-P energy: -59.152 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -79.222 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -92.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -965.361164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.361164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.361164 (E_RNA) where: Base-Base interactions energy: -624.246 where: short stacking energy: -279.815 Base-Backbone interact. energy: -0.210 local terms energy: -340.905674 where: bonds (distance) C4'-P energy: -68.296 bonds (distance) P-C4' energy: -66.219 flat angles C4'-P-C4' energy: -78.213 flat angles P-C4'-P energy: -52.270 tors. eta vs tors. theta energy: -75.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -983.150061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.150061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.150061 (E_RNA) where: Base-Base interactions energy: -648.740 where: short stacking energy: -308.754 Base-Backbone interact. energy: -2.402 local terms energy: -332.008184 where: bonds (distance) C4'-P energy: -63.656 bonds (distance) P-C4' energy: -63.549 flat angles C4'-P-C4' energy: -80.112 flat angles P-C4'-P energy: -45.974 tors. eta vs tors. theta energy: -78.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -850.541140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.541140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.541140 (E_RNA) where: Base-Base interactions energy: -555.910 where: short stacking energy: -260.745 Base-Backbone interact. energy: -1.218 local terms energy: -293.413491 where: bonds (distance) C4'-P energy: -39.881 bonds (distance) P-C4' energy: -68.028 flat angles C4'-P-C4' energy: -73.110 flat angles P-C4'-P energy: -43.619 tors. eta vs tors. theta energy: -68.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -785.295547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.295547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.295547 (E_RNA) where: Base-Base interactions energy: -514.019 where: short stacking energy: -247.728 Base-Backbone interact. energy: -1.485 local terms energy: -269.790735 where: bonds (distance) C4'-P energy: -56.396 bonds (distance) P-C4' energy: -53.216 flat angles C4'-P-C4' energy: -60.219 flat angles P-C4'-P energy: -36.342 tors. eta vs tors. theta energy: -63.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -649.983188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.983188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.983188 (E_RNA) where: Base-Base interactions energy: -386.370 where: short stacking energy: -206.194 Base-Backbone interact. energy: -0.679 local terms energy: -262.934482 where: bonds (distance) C4'-P energy: -41.920 bonds (distance) P-C4' energy: -65.960 flat angles C4'-P-C4' energy: -65.480 flat angles P-C4'-P energy: -44.755 tors. eta vs tors. theta energy: -44.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -567.613960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.613960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.613960 (E_RNA) where: Base-Base interactions energy: -313.323 where: short stacking energy: -155.940 Base-Backbone interact. energy: -0.978 local terms energy: -253.313141 where: bonds (distance) C4'-P energy: -57.246 bonds (distance) P-C4' energy: -67.619 flat angles C4'-P-C4' energy: -61.018 flat angles P-C4'-P energy: -37.798 tors. eta vs tors. theta energy: -29.632 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: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -502.373908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.373908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.373908 (E_RNA) where: Base-Base interactions energy: -269.966 where: short stacking energy: -139.818 Base-Backbone interact. energy: -0.534 local terms energy: -231.873753 where: bonds (distance) C4'-P energy: -56.686 bonds (distance) P-C4' energy: -61.051 flat angles C4'-P-C4' energy: -58.558 flat angles P-C4'-P energy: -37.516 tors. eta vs tors. theta energy: -18.063 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: 120 Temperature: 1.350000 Total energy: -344.775813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.775813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.775813 (E_RNA) where: Base-Base interactions energy: -177.172 where: short stacking energy: -123.013 Base-Backbone interact. energy: -0.523 local terms energy: -167.080852 where: bonds (distance) C4'-P energy: -51.710 bonds (distance) P-C4' energy: -37.496 flat angles C4'-P-C4' energy: -52.275 flat angles P-C4'-P energy: -23.406 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1062.290891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.290891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.290891 (E_RNA) where: Base-Base interactions energy: -692.106 where: short stacking energy: -327.314 Base-Backbone interact. energy: -1.446 local terms energy: -368.739232 where: bonds (distance) C4'-P energy: -70.714 bonds (distance) P-C4' energy: -74.662 flat angles C4'-P-C4' energy: -79.588 flat angles P-C4'-P energy: -53.254 tors. eta vs tors. theta energy: -90.521 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: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1052.163574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.163574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.163574 (E_RNA) where: Base-Base interactions energy: -695.110 where: short stacking energy: -330.950 Base-Backbone interact. energy: -3.224 local terms energy: -353.830358 where: bonds (distance) C4'-P energy: -62.093 bonds (distance) P-C4' energy: -72.845 flat angles C4'-P-C4' energy: -78.192 flat angles P-C4'-P energy: -47.799 tors. eta vs tors. theta energy: -92.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -977.971011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.971011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.971011 (E_RNA) where: Base-Base interactions energy: -637.462 where: short stacking energy: -298.602 Base-Backbone interact. energy: 0.537 local terms energy: -341.046151 where: bonds (distance) C4'-P energy: -73.298 bonds (distance) P-C4' energy: -72.214 flat angles C4'-P-C4' energy: -72.042 flat angles P-C4'-P energy: -44.520 tors. eta vs tors. theta energy: -78.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -949.830587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.830587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.830587 (E_RNA) where: Base-Base interactions energy: -631.320 where: short stacking energy: -280.538 Base-Backbone interact. energy: 2.174 local terms energy: -320.685142 where: bonds (distance) C4'-P energy: -66.147 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -76.753 flat angles P-C4'-P energy: -44.323 tors. eta vs tors. theta energy: -70.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -852.417264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.417264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.417264 (E_RNA) where: Base-Base interactions energy: -550.614 where: short stacking energy: -272.097 Base-Backbone interact. energy: -2.368 local terms energy: -299.434384 where: bonds (distance) C4'-P energy: -58.663 bonds (distance) P-C4' energy: -62.636 flat angles C4'-P-C4' energy: -67.826 flat angles P-C4'-P energy: -46.108 tors. eta vs tors. theta energy: -64.201 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: 121 Temperature: 1.150000 Total energy: -786.861052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.861052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.861052 (E_RNA) where: Base-Base interactions energy: -485.875 where: short stacking energy: -235.588 Base-Backbone interact. energy: -0.951 local terms energy: -300.034662 where: bonds (distance) C4'-P energy: -67.620 bonds (distance) P-C4' energy: -56.621 flat angles C4'-P-C4' energy: -74.481 flat angles P-C4'-P energy: -49.519 tors. eta vs tors. theta energy: -51.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -678.008021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.008021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.008021 (E_RNA) where: Base-Base interactions energy: -433.159 where: short stacking energy: -206.641 Base-Backbone interact. energy: 3.528 local terms energy: -248.377379 where: bonds (distance) C4'-P energy: -54.317 bonds (distance) P-C4' energy: -59.698 flat angles C4'-P-C4' energy: -57.592 flat angles P-C4'-P energy: -36.616 tors. eta vs tors. theta energy: -40.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -577.830659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.830659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.830659 (E_RNA) where: Base-Base interactions energy: -322.710 where: short stacking energy: -184.920 Base-Backbone interact. energy: -0.457 local terms energy: -254.663585 where: bonds (distance) C4'-P energy: -54.341 bonds (distance) P-C4' energy: -66.140 flat angles C4'-P-C4' energy: -61.854 flat angles P-C4'-P energy: -30.870 tors. eta vs tors. theta energy: -41.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -539.729994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.729994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.729994 (E_RNA) where: Base-Base interactions energy: -312.492 where: short stacking energy: -146.108 Base-Backbone interact. energy: 0.673 local terms energy: -227.911401 where: bonds (distance) C4'-P energy: -51.203 bonds (distance) P-C4' energy: -66.550 flat angles C4'-P-C4' energy: -57.102 flat angles P-C4'-P energy: -35.320 tors. eta vs tors. theta energy: -17.738 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: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -325.241973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.241973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.241973 (E_RNA) where: Base-Base interactions energy: -145.272 where: short stacking energy: -104.752 Base-Backbone interact. energy: -1.890 local terms energy: -178.080425 where: bonds (distance) C4'-P energy: -52.625 bonds (distance) P-C4' energy: -50.851 flat angles C4'-P-C4' energy: -49.528 flat angles P-C4'-P energy: -31.561 tors. eta vs tors. theta energy: 6.486 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: 4 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1083.657459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.657459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.657459 (E_RNA) where: Base-Base interactions energy: -718.610 where: short stacking energy: -343.978 Base-Backbone interact. energy: -0.583 local terms energy: -364.464535 where: bonds (distance) C4'-P energy: -64.150 bonds (distance) P-C4' energy: -75.120 flat angles C4'-P-C4' energy: -74.473 flat angles P-C4'-P energy: -57.501 tors. eta vs tors. theta energy: -93.221 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: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1040.240731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.240731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.240731 (E_RNA) where: Base-Base interactions energy: -692.435 where: short stacking energy: -308.110 Base-Backbone interact. energy: -4.683 local terms energy: -343.123387 where: bonds (distance) C4'-P energy: -65.335 bonds (distance) P-C4' energy: -64.159 flat angles C4'-P-C4' energy: -74.650 flat angles P-C4'-P energy: -51.097 tors. eta vs tors. theta energy: -87.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -974.353489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.353489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.353489 (E_RNA) where: Base-Base interactions energy: -651.322 where: short stacking energy: -301.381 Base-Backbone interact. energy: 1.869 local terms energy: -324.900217 where: bonds (distance) C4'-P energy: -50.217 bonds (distance) P-C4' energy: -68.459 flat angles C4'-P-C4' energy: -73.847 flat angles P-C4'-P energy: -53.579 tors. eta vs tors. theta energy: -78.798 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: 122 Temperature: 1.050000 Total energy: -960.469513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.469513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.469513 (E_RNA) where: Base-Base interactions energy: -643.537 where: short stacking energy: -288.484 Base-Backbone interact. energy: -0.005 local terms energy: -316.927276 where: bonds (distance) C4'-P energy: -62.305 bonds (distance) P-C4' energy: -56.435 flat angles C4'-P-C4' energy: -71.346 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -74.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -815.738353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.738353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.738353 (E_RNA) where: Base-Base interactions energy: -518.541 where: short stacking energy: -258.628 Base-Backbone interact. energy: -1.271 local terms energy: -295.926468 where: bonds (distance) C4'-P energy: -65.455 bonds (distance) P-C4' energy: -57.535 flat angles C4'-P-C4' energy: -65.692 flat angles P-C4'-P energy: -35.410 tors. eta vs tors. theta energy: -71.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -793.960078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.960078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.960078 (E_RNA) where: Base-Base interactions energy: -516.201 where: short stacking energy: -215.174 Base-Backbone interact. energy: -1.270 local terms energy: -276.489306 where: bonds (distance) C4'-P energy: -60.077 bonds (distance) P-C4' energy: -50.709 flat angles C4'-P-C4' energy: -68.502 flat angles P-C4'-P energy: -41.615 tors. eta vs tors. theta energy: -55.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -675.659597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.659597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.659597 (E_RNA) where: Base-Base interactions energy: -380.766 where: short stacking energy: -201.006 Base-Backbone interact. energy: -1.137 local terms energy: -293.756213 where: bonds (distance) C4'-P energy: -64.419 bonds (distance) P-C4' energy: -62.938 flat angles C4'-P-C4' energy: -68.563 flat angles P-C4'-P energy: -45.102 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: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -590.416054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.416054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.416054 (E_RNA) where: Base-Base interactions energy: -344.161 where: short stacking energy: -188.218 Base-Backbone interact. energy: -0.373 local terms energy: -245.882054 where: bonds (distance) C4'-P energy: -46.503 bonds (distance) P-C4' energy: -61.080 flat angles C4'-P-C4' energy: -69.075 flat angles P-C4'-P energy: -30.391 tors. eta vs tors. theta energy: -38.833 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: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -492.576300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.576300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.576300 (E_RNA) where: Base-Base interactions energy: -254.029 where: short stacking energy: -130.952 Base-Backbone interact. energy: 0.869 local terms energy: -239.416895 where: bonds (distance) C4'-P energy: -54.849 bonds (distance) P-C4' energy: -69.507 flat angles C4'-P-C4' energy: -62.988 flat angles P-C4'-P energy: -35.218 tors. eta vs tors. theta energy: -16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -301.829412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.829412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.829412 (E_RNA) where: Base-Base interactions energy: -101.035 where: short stacking energy: -87.278 Base-Backbone interact. energy: 0.075 local terms energy: -200.869493 where: bonds (distance) C4'-P energy: -69.151 bonds (distance) P-C4' energy: -53.503 flat angles C4'-P-C4' energy: -56.169 flat angles P-C4'-P energy: -30.064 tors. eta vs tors. theta energy: 8.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1076.902347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.902347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.902347 (E_RNA) where: Base-Base interactions energy: -717.948 where: short stacking energy: -349.235 Base-Backbone interact. energy: -0.519 local terms energy: -358.435081 where: bonds (distance) C4'-P energy: -62.473 bonds (distance) P-C4' energy: -60.090 flat angles C4'-P-C4' energy: -78.918 flat angles P-C4'-P energy: -56.280 tors. eta vs tors. theta energy: -100.674 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: 123 Temperature: 0.950000 Total energy: -1042.722437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.722437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.722437 (E_RNA) where: Base-Base interactions energy: -686.194 where: short stacking energy: -308.471 Base-Backbone interact. energy: -1.625 local terms energy: -354.903958 where: bonds (distance) C4'-P energy: -75.514 bonds (distance) P-C4' energy: -73.416 flat angles C4'-P-C4' energy: -65.092 flat angles P-C4'-P energy: -48.031 tors. eta vs tors. theta energy: -92.850 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: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -978.194797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.194797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.194797 (E_RNA) where: Base-Base interactions energy: -638.924 where: short stacking energy: -300.158 Base-Backbone interact. energy: 1.751 local terms energy: -341.021893 where: bonds (distance) C4'-P energy: -72.497 bonds (distance) P-C4' energy: -65.484 flat angles C4'-P-C4' energy: -75.885 flat angles P-C4'-P energy: -44.937 tors. eta vs tors. theta energy: -82.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -929.429107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.429107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.429107 (E_RNA) where: Base-Base interactions energy: -613.853 where: short stacking energy: -293.082 Base-Backbone interact. energy: 2.160 local terms energy: -317.735796 where: bonds (distance) C4'-P energy: -69.183 bonds (distance) P-C4' energy: -70.674 flat angles C4'-P-C4' energy: -70.890 flat angles P-C4'-P energy: -36.174 tors. eta vs tors. theta energy: -70.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -809.245922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.245922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.245922 (E_RNA) where: Base-Base interactions energy: -489.580 where: short stacking energy: -250.058 Base-Backbone interact. energy: -1.006 local terms energy: -318.660089 where: bonds (distance) C4'-P energy: -68.265 bonds (distance) P-C4' energy: -69.302 flat angles C4'-P-C4' energy: -75.135 flat angles P-C4'-P energy: -42.735 tors. eta vs tors. theta energy: -63.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -837.282947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.282947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.282947 (E_RNA) where: Base-Base interactions energy: -524.207 where: short stacking energy: -246.275 Base-Backbone interact. energy: -2.462 local terms energy: -310.613984 where: bonds (distance) C4'-P energy: -54.910 bonds (distance) P-C4' energy: -70.804 flat angles C4'-P-C4' energy: -73.644 flat angles P-C4'-P energy: -40.719 tors. eta vs tors. theta energy: -70.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -651.732399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.732399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.732399 (E_RNA) where: Base-Base interactions energy: -382.125 where: short stacking energy: -196.964 Base-Backbone interact. energy: -1.415 local terms energy: -268.192840 where: bonds (distance) C4'-P energy: -62.344 bonds (distance) P-C4' energy: -51.478 flat angles C4'-P-C4' energy: -71.052 flat angles P-C4'-P energy: -36.918 tors. eta vs tors. theta energy: -46.401 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: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -572.323190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.323190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.323190 (E_RNA) where: Base-Base interactions energy: -341.982 where: short stacking energy: -163.406 Base-Backbone interact. energy: 0.190 local terms energy: -230.531716 where: bonds (distance) C4'-P energy: -59.772 bonds (distance) P-C4' energy: -67.648 flat angles C4'-P-C4' energy: -40.894 flat angles P-C4'-P energy: -37.732 tors. eta vs tors. theta energy: -24.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -502.354883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.354883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.354883 (E_RNA) where: Base-Base interactions energy: -281.746 where: short stacking energy: -147.101 Base-Backbone interact. energy: -1.933 local terms energy: -218.676738 where: bonds (distance) C4'-P energy: -51.118 bonds (distance) P-C4' energy: -66.546 flat angles C4'-P-C4' energy: -53.068 flat angles P-C4'-P energy: -30.036 tors. eta vs tors. theta energy: -17.909 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: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -286.672472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.672472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.672472 (E_RNA) where: Base-Base interactions energy: -122.320 where: short stacking energy: -98.680 Base-Backbone interact. energy: 2.439 local terms energy: -166.791112 where: bonds (distance) C4'-P energy: -47.473 bonds (distance) P-C4' energy: -58.342 flat angles C4'-P-C4' energy: -42.996 flat angles P-C4'-P energy: -18.351 tors. eta vs tors. theta energy: 0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1055.898781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.898781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.898781 (E_RNA) where: Base-Base interactions energy: -682.124 where: short stacking energy: -320.152 Base-Backbone interact. energy: -2.105 local terms energy: -371.670657 where: bonds (distance) C4'-P energy: -76.718 bonds (distance) P-C4' energy: -67.500 flat angles C4'-P-C4' energy: -78.525 flat angles P-C4'-P energy: -62.311 tors. eta vs tors. theta energy: -86.616 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: 124 Temperature: 0.950000 Total energy: -1030.960549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.960549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.960549 (E_RNA) where: Base-Base interactions energy: -694.321 where: short stacking energy: -306.950 Base-Backbone interact. energy: -2.663 local terms energy: -333.975731 where: bonds (distance) C4'-P energy: -63.126 bonds (distance) P-C4' energy: -69.394 flat angles C4'-P-C4' energy: -69.274 flat angles P-C4'-P energy: -49.219 tors. eta vs tors. theta energy: -82.962 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: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -995.164743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.164743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.164743 (E_RNA) where: Base-Base interactions energy: -659.580 where: short stacking energy: -289.457 Base-Backbone interact. energy: 3.356 local terms energy: -338.940367 where: bonds (distance) C4'-P energy: -67.201 bonds (distance) P-C4' energy: -62.676 flat angles C4'-P-C4' energy: -70.465 flat angles P-C4'-P energy: -55.993 tors. eta vs tors. theta energy: -82.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -940.839040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.839040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.839040 (E_RNA) where: Base-Base interactions energy: -619.381 where: short stacking energy: -287.056 Base-Backbone interact. energy: 1.663 local terms energy: -323.121633 where: bonds (distance) C4'-P energy: -57.772 bonds (distance) P-C4' energy: -71.329 flat angles C4'-P-C4' energy: -73.167 flat angles P-C4'-P energy: -40.699 tors. eta vs tors. theta energy: -80.154 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: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -874.767954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.767954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.767954 (E_RNA) where: Base-Base interactions energy: -584.476 where: short stacking energy: -265.128 Base-Backbone interact. energy: -1.104 local terms energy: -289.188674 where: bonds (distance) C4'-P energy: -53.355 bonds (distance) P-C4' energy: -59.745 flat angles C4'-P-C4' energy: -65.508 flat angles P-C4'-P energy: -39.254 tors. eta vs tors. theta energy: -71.327 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: 124 Temperature: 1.150000 Total energy: -780.342200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.342200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.342200 (E_RNA) where: Base-Base interactions energy: -502.075 where: short stacking energy: -235.250 Base-Backbone interact. energy: -0.894 local terms energy: -277.372911 where: bonds (distance) C4'-P energy: -57.929 bonds (distance) P-C4' energy: -59.034 flat angles C4'-P-C4' energy: -64.733 flat angles P-C4'-P energy: -38.890 tors. eta vs tors. theta energy: -56.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -689.011420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.011420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.011420 (E_RNA) where: Base-Base interactions energy: -438.253 where: short stacking energy: -213.822 Base-Backbone interact. energy: -1.332 local terms energy: -249.426361 where: bonds (distance) C4'-P energy: -59.610 bonds (distance) P-C4' energy: -53.155 flat angles C4'-P-C4' energy: -61.487 flat angles P-C4'-P energy: -43.436 tors. eta vs tors. theta energy: -31.737 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: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -509.410213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.410213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.410213 (E_RNA) where: Base-Base interactions energy: -279.488 where: short stacking energy: -168.515 Base-Backbone interact. energy: 4.908 local terms energy: -234.831033 where: bonds (distance) C4'-P energy: -63.118 bonds (distance) P-C4' energy: -67.332 flat angles C4'-P-C4' energy: -47.847 flat angles P-C4'-P energy: -34.682 tors. eta vs tors. theta energy: -21.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -466.665509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.665509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.665509 (E_RNA) where: Base-Base interactions energy: -235.415 where: short stacking energy: -125.091 Base-Backbone interact. energy: -0.809 local terms energy: -230.441729 where: bonds (distance) C4'-P energy: -52.950 bonds (distance) P-C4' energy: -60.113 flat angles C4'-P-C4' energy: -50.648 flat angles P-C4'-P energy: -32.980 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: 10, replica: 7 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -328.857970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.857970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.857970 (E_RNA) where: Base-Base interactions energy: -139.479 where: short stacking energy: -98.896 Base-Backbone interact. energy: -1.509 local terms energy: -187.869512 where: bonds (distance) C4'-P energy: -42.841 bonds (distance) P-C4' energy: -66.189 flat angles C4'-P-C4' energy: -48.426 flat angles P-C4'-P energy: -28.803 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1074.896320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.896320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.896320 (E_RNA) where: Base-Base interactions energy: -700.189 where: short stacking energy: -336.148 Base-Backbone interact. energy: -1.045 local terms energy: -373.662389 where: bonds (distance) C4'-P energy: -72.515 bonds (distance) P-C4' energy: -74.922 flat angles C4'-P-C4' energy: -79.870 flat angles P-C4'-P energy: -53.940 tors. eta vs tors. theta energy: -92.416 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: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1016.877067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.877067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.877067 (E_RNA) where: Base-Base interactions energy: -697.118 where: short stacking energy: -303.733 Base-Backbone interact. energy: -1.179 local terms energy: -318.580065 where: bonds (distance) C4'-P energy: -61.892 bonds (distance) P-C4' energy: -66.322 flat angles C4'-P-C4' energy: -69.253 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: -75.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1006.476556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.476556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.476556 (E_RNA) where: Base-Base interactions energy: -650.693 where: short stacking energy: -303.538 Base-Backbone interact. energy: -1.657 local terms energy: -354.125938 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -73.097 flat angles C4'-P-C4' energy: -79.306 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -87.299 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: 125 Temperature: 1.050000 Total energy: -925.197345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.197345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.197345 (E_RNA) where: Base-Base interactions energy: -613.473 where: short stacking energy: -282.573 Base-Backbone interact. energy: 0.935 local terms energy: -312.658944 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -61.418 flat angles C4'-P-C4' energy: -63.823 flat angles P-C4'-P energy: -41.277 tors. eta vs tors. theta energy: -80.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -839.882611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.882611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.882611 (E_RNA) where: Base-Base interactions energy: -534.123 where: short stacking energy: -239.367 Base-Backbone interact. energy: -1.852 local terms energy: -303.908295 where: bonds (distance) C4'-P energy: -67.543 bonds (distance) P-C4' energy: -65.963 flat angles C4'-P-C4' energy: -57.794 flat angles P-C4'-P energy: -45.719 tors. eta vs tors. theta energy: -66.888 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: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -760.936569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.936569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.936569 (E_RNA) where: Base-Base interactions energy: -492.907 where: short stacking energy: -247.289 Base-Backbone interact. energy: -0.688 local terms energy: -267.341077 where: bonds (distance) C4'-P energy: -38.850 bonds (distance) P-C4' energy: -72.224 flat angles C4'-P-C4' energy: -60.697 flat angles P-C4'-P energy: -26.339 tors. eta vs tors. theta energy: -69.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -796.667111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.667111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.667111 (E_RNA) where: Base-Base interactions energy: -512.144 where: short stacking energy: -237.861 Base-Backbone interact. energy: 1.213 local terms energy: -285.736273 where: bonds (distance) C4'-P energy: -51.327 bonds (distance) P-C4' energy: -75.177 flat angles C4'-P-C4' energy: -62.123 flat angles P-C4'-P energy: -33.086 tors. eta vs tors. theta energy: -64.023 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: 125 Temperature: 1.250000 Total energy: -509.053609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.053609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.053609 (E_RNA) where: Base-Base interactions energy: -281.240 where: short stacking energy: -174.630 Base-Backbone interact. energy: -0.615 local terms energy: -227.198722 where: bonds (distance) C4'-P energy: -44.912 bonds (distance) P-C4' energy: -67.951 flat angles C4'-P-C4' energy: -53.064 flat angles P-C4'-P energy: -29.275 tors. eta vs tors. theta energy: -31.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -474.877994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.877994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.877994 (E_RNA) where: Base-Base interactions energy: -237.782 where: short stacking energy: -145.373 Base-Backbone interact. energy: -1.387 local terms energy: -235.708915 where: bonds (distance) C4'-P energy: -62.121 bonds (distance) P-C4' energy: -58.082 flat angles C4'-P-C4' energy: -59.502 flat angles P-C4'-P energy: -33.236 tors. eta vs tors. theta energy: -22.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -317.727496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.727496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.727496 (E_RNA) where: Base-Base interactions energy: -132.328 where: short stacking energy: -104.397 Base-Backbone interact. energy: 2.445 local terms energy: -187.844722 where: bonds (distance) C4'-P energy: -67.456 bonds (distance) P-C4' energy: -51.685 flat angles C4'-P-C4' energy: -42.420 flat angles P-C4'-P energy: -26.820 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: 4 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1083.146240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.146240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.146240 (E_RNA) where: Base-Base interactions energy: -710.929 where: short stacking energy: -329.581 Base-Backbone interact. energy: -2.294 local terms energy: -369.923282 where: bonds (distance) C4'-P energy: -67.687 bonds (distance) P-C4' energy: -75.140 flat angles C4'-P-C4' energy: -76.998 flat angles P-C4'-P energy: -50.061 tors. eta vs tors. theta energy: -100.039 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: 2, replica: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1046.164390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.164390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.164390 (E_RNA) where: Base-Base interactions energy: -699.945 where: short stacking energy: -327.276 Base-Backbone interact. energy: -0.969 local terms energy: -345.250190 where: bonds (distance) C4'-P energy: -72.372 bonds (distance) P-C4' energy: -65.475 flat angles C4'-P-C4' energy: -69.713 flat angles P-C4'-P energy: -50.078 tors. eta vs tors. theta energy: -87.612 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: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1018.303269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.303269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.303269 (E_RNA) where: Base-Base interactions energy: -690.414 where: short stacking energy: -325.655 Base-Backbone interact. energy: -3.512 local terms energy: -324.376942 where: bonds (distance) C4'-P energy: -59.350 bonds (distance) P-C4' energy: -63.712 flat angles C4'-P-C4' energy: -75.511 flat angles P-C4'-P energy: -37.962 tors. eta vs tors. theta energy: -87.842 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: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -925.349861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.349861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.349861 (E_RNA) where: Base-Base interactions energy: -607.155 where: short stacking energy: -270.410 Base-Backbone interact. energy: 3.139 local terms energy: -321.333476 where: bonds (distance) C4'-P energy: -67.969 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -65.741 flat angles P-C4'-P energy: -48.223 tors. eta vs tors. theta energy: -72.820 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: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -858.644351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.644351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.644351 (E_RNA) where: Base-Base interactions energy: -559.388 where: short stacking energy: -264.506 Base-Backbone interact. energy: 2.032 local terms energy: -301.288955 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -59.424 flat angles C4'-P-C4' energy: -63.080 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -73.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -762.643577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.643577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.643577 (E_RNA) where: Base-Base interactions energy: -472.296 where: short stacking energy: -234.590 Base-Backbone interact. energy: -1.513 local terms energy: -288.834929 where: bonds (distance) C4'-P energy: -60.688 bonds (distance) P-C4' energy: -64.189 flat angles C4'-P-C4' energy: -63.713 flat angles P-C4'-P energy: -37.019 tors. eta vs tors. theta energy: -63.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -757.433837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.433837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.433837 (E_RNA) where: Base-Base interactions energy: -488.528 where: short stacking energy: -229.805 Base-Backbone interact. energy: -1.253 local terms energy: -267.652272 where: bonds (distance) C4'-P energy: -54.372 bonds (distance) P-C4' energy: -61.740 flat angles C4'-P-C4' energy: -67.540 flat angles P-C4'-P energy: -33.052 tors. eta vs tors. theta energy: -50.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -521.541635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.541635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.541635 (E_RNA) where: Base-Base interactions energy: -299.271 where: short stacking energy: -148.744 Base-Backbone interact. energy: -0.660 local terms energy: -221.610697 where: bonds (distance) C4'-P energy: -56.514 bonds (distance) P-C4' energy: -58.297 flat angles C4'-P-C4' energy: -51.881 flat angles P-C4'-P energy: -31.286 tors. eta vs tors. theta energy: -23.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -453.562389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.562389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.562389 (E_RNA) where: Base-Base interactions energy: -239.962 where: short stacking energy: -131.587 Base-Backbone interact. energy: -0.512 local terms energy: -213.088427 where: bonds (distance) C4'-P energy: -52.150 bonds (distance) P-C4' energy: -57.396 flat angles C4'-P-C4' energy: -61.428 flat angles P-C4'-P energy: -37.472 tors. eta vs tors. theta energy: -4.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -318.281104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.281104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.281104 (E_RNA) where: Base-Base interactions energy: -144.231 where: short stacking energy: -95.213 Base-Backbone interact. energy: 0.690 local terms energy: -174.739308 where: bonds (distance) C4'-P energy: -73.980 bonds (distance) P-C4' energy: -42.870 flat angles C4'-P-C4' energy: -51.708 flat angles P-C4'-P energy: -22.010 tors. eta vs tors. theta energy: 15.829 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: 4 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1101.191818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.191818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.191818 (E_RNA) where: Base-Base interactions energy: -731.778 where: short stacking energy: -350.863 Base-Backbone interact. energy: -0.213 local terms energy: -369.200844 where: bonds (distance) C4'-P energy: -64.848 bonds (distance) P-C4' energy: -78.281 flat angles C4'-P-C4' energy: -72.899 flat angles P-C4'-P energy: -50.163 tors. eta vs tors. theta energy: -103.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1040.607914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.607914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.607914 (E_RNA) where: Base-Base interactions energy: -706.005 where: short stacking energy: -326.586 Base-Backbone interact. energy: 0.688 local terms energy: -335.290846 where: bonds (distance) C4'-P energy: -61.231 bonds (distance) P-C4' energy: -66.707 flat angles C4'-P-C4' energy: -72.527 flat angles P-C4'-P energy: -48.800 tors. eta vs tors. theta energy: -86.025 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: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1010.719831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.719831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.719831 (E_RNA) where: Base-Base interactions energy: -675.306 where: short stacking energy: -293.501 Base-Backbone interact. energy: 1.476 local terms energy: -336.890289 where: bonds (distance) C4'-P energy: -63.459 bonds (distance) P-C4' energy: -60.325 flat angles C4'-P-C4' energy: -69.071 flat angles P-C4'-P energy: -58.234 tors. eta vs tors. theta energy: -85.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -962.971992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.971992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.971992 (E_RNA) where: Base-Base interactions energy: -638.042 where: short stacking energy: -299.123 Base-Backbone interact. energy: 1.807 local terms energy: -326.737030 where: bonds (distance) C4'-P energy: -66.506 bonds (distance) P-C4' energy: -67.545 flat angles C4'-P-C4' energy: -66.403 flat angles P-C4'-P energy: -45.920 tors. eta vs tors. theta energy: -80.364 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: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -819.569496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.569496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.569496 (E_RNA) where: Base-Base interactions energy: -504.852 where: short stacking energy: -219.303 Base-Backbone interact. energy: -2.978 local terms energy: -311.739140 where: bonds (distance) C4'-P energy: -62.546 bonds (distance) P-C4' energy: -65.028 flat angles C4'-P-C4' energy: -67.363 flat angles P-C4'-P energy: -53.051 tors. eta vs tors. theta energy: -63.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -782.689906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.689906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.689906 (E_RNA) where: Base-Base interactions energy: -493.813 where: short stacking energy: -239.573 Base-Backbone interact. energy: -1.406 local terms energy: -287.470262 where: bonds (distance) C4'-P energy: -65.545 bonds (distance) P-C4' energy: -56.804 flat angles C4'-P-C4' energy: -63.221 flat angles P-C4'-P energy: -33.941 tors. eta vs tors. theta energy: -67.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -736.029425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.029425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.029425 (E_RNA) where: Base-Base interactions energy: -461.880 where: short stacking energy: -224.968 Base-Backbone interact. energy: -2.363 local terms energy: -271.786816 where: bonds (distance) C4'-P energy: -50.451 bonds (distance) P-C4' energy: -64.477 flat angles C4'-P-C4' energy: -68.401 flat angles P-C4'-P energy: -37.514 tors. eta vs tors. theta energy: -50.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -505.188918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.188918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.188918 (E_RNA) where: Base-Base interactions energy: -296.057 where: short stacking energy: -165.581 Base-Backbone interact. energy: -1.880 local terms energy: -207.251603 where: bonds (distance) C4'-P energy: -50.609 bonds (distance) P-C4' energy: -45.102 flat angles C4'-P-C4' energy: -54.487 flat angles P-C4'-P energy: -34.429 tors. eta vs tors. theta energy: -22.625 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: 6 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -440.898912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.898912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.898912 (E_RNA) where: Base-Base interactions energy: -233.771 where: short stacking energy: -135.715 Base-Backbone interact. energy: -1.294 local terms energy: -205.833800 where: bonds (distance) C4'-P energy: -41.938 bonds (distance) P-C4' energy: -60.695 flat angles C4'-P-C4' energy: -44.476 flat angles P-C4'-P energy: -37.745 tors. eta vs tors. theta energy: -20.979 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: 10, replica: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -356.095500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.095500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.095500 (E_RNA) where: Base-Base interactions energy: -165.550 where: short stacking energy: -103.223 Base-Backbone interact. energy: -1.377 local terms energy: -189.168567 where: bonds (distance) C4'-P energy: -44.091 bonds (distance) P-C4' energy: -47.268 flat angles C4'-P-C4' energy: -66.156 flat angles P-C4'-P energy: -24.555 tors. eta vs tors. theta energy: -7.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1122.334950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.334950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.334950 (E_RNA) where: Base-Base interactions energy: -732.288 where: short stacking energy: -356.706 Base-Backbone interact. energy: -1.130 local terms energy: -388.916894 where: bonds (distance) C4'-P energy: -79.894 bonds (distance) P-C4' energy: -69.940 flat angles C4'-P-C4' energy: -82.156 flat angles P-C4'-P energy: -56.220 tors. eta vs tors. theta energy: -100.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1037.461357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.461357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.461357 (E_RNA) where: Base-Base interactions energy: -690.550 where: short stacking energy: -329.497 Base-Backbone interact. energy: 0.268 local terms energy: -347.179774 where: bonds (distance) C4'-P energy: -64.322 bonds (distance) P-C4' energy: -72.095 flat angles C4'-P-C4' energy: -72.577 flat angles P-C4'-P energy: -44.911 tors. eta vs tors. theta energy: -93.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -999.628176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.628176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.628176 (E_RNA) where: Base-Base interactions energy: -646.890 where: short stacking energy: -286.882 Base-Backbone interact. energy: -1.840 local terms energy: -350.897635 where: bonds (distance) C4'-P energy: -79.014 bonds (distance) P-C4' energy: -71.653 flat angles C4'-P-C4' energy: -71.856 flat angles P-C4'-P energy: -47.232 tors. eta vs tors. theta energy: -81.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -946.764422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.764422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.764422 (E_RNA) where: Base-Base interactions energy: -625.181 where: short stacking energy: -296.030 Base-Backbone interact. energy: -0.331 local terms energy: -321.252132 where: bonds (distance) C4'-P energy: -64.093 bonds (distance) P-C4' energy: -65.341 flat angles C4'-P-C4' energy: -72.980 flat angles P-C4'-P energy: -38.015 tors. eta vs tors. theta energy: -80.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -838.314437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.314437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.314437 (E_RNA) where: Base-Base interactions energy: -539.754 where: short stacking energy: -237.707 Base-Backbone interact. energy: -1.028 local terms energy: -297.532742 where: bonds (distance) C4'-P energy: -61.807 bonds (distance) P-C4' energy: -63.959 flat angles C4'-P-C4' energy: -57.005 flat angles P-C4'-P energy: -57.751 tors. eta vs tors. theta energy: -57.010 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: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -761.192778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.192778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.192778 (E_RNA) where: Base-Base interactions energy: -479.152 where: short stacking energy: -255.135 Base-Backbone interact. energy: 2.092 local terms energy: -284.133305 where: bonds (distance) C4'-P energy: -68.770 bonds (distance) P-C4' energy: -42.768 flat angles C4'-P-C4' energy: -69.167 flat angles P-C4'-P energy: -36.406 tors. eta vs tors. theta energy: -67.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -742.172115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.172115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.172115 (E_RNA) where: Base-Base interactions energy: -471.510 where: short stacking energy: -220.903 Base-Backbone interact. energy: 3.419 local terms energy: -274.080431 where: bonds (distance) C4'-P energy: -54.802 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -60.290 flat angles P-C4'-P energy: -36.886 tors. eta vs tors. theta energy: -53.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -521.569232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.569232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.569232 (E_RNA) where: Base-Base interactions energy: -289.674 where: short stacking energy: -165.645 Base-Backbone interact. energy: 1.166 local terms energy: -233.060726 where: bonds (distance) C4'-P energy: -58.918 bonds (distance) P-C4' energy: -63.506 flat angles C4'-P-C4' energy: -43.916 flat angles P-C4'-P energy: -38.918 tors. eta vs tors. theta energy: -27.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -501.352137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.352137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.352137 (E_RNA) where: Base-Base interactions energy: -286.492 where: short stacking energy: -145.461 Base-Backbone interact. energy: 3.160 local terms energy: -218.019903 where: bonds (distance) C4'-P energy: -59.099 bonds (distance) P-C4' energy: -47.646 flat angles C4'-P-C4' energy: -57.515 flat angles P-C4'-P energy: -35.826 tors. eta vs tors. theta energy: -17.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -325.723811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.723811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.723811 (E_RNA) where: Base-Base interactions energy: -136.327 where: short stacking energy: -102.098 Base-Backbone interact. energy: 0.694 local terms energy: -190.090958 where: bonds (distance) C4'-P energy: -43.075 bonds (distance) P-C4' energy: -54.922 flat angles C4'-P-C4' energy: -54.905 flat angles P-C4'-P energy: -27.525 tors. eta vs tors. theta energy: -9.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1109.400415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.400415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.400415 (E_RNA) where: Base-Base interactions energy: -742.741 where: short stacking energy: -349.989 Base-Backbone interact. energy: -1.057 local terms energy: -365.602551 where: bonds (distance) C4'-P energy: -73.088 bonds (distance) P-C4' energy: -68.537 flat angles C4'-P-C4' energy: -83.558 flat angles P-C4'-P energy: -45.394 tors. eta vs tors. theta energy: -95.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1032.405875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.405875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.405875 (E_RNA) where: Base-Base interactions energy: -689.299 where: short stacking energy: -299.349 Base-Backbone interact. energy: -1.786 local terms energy: -341.321270 where: bonds (distance) C4'-P energy: -70.405 bonds (distance) P-C4' energy: -70.017 flat angles C4'-P-C4' energy: -72.916 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -79.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1005.778140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.778140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.778140 (E_RNA) where: Base-Base interactions energy: -677.052 where: short stacking energy: -299.087 Base-Backbone interact. energy: 0.984 local terms energy: -329.710332 where: bonds (distance) C4'-P energy: -54.528 bonds (distance) P-C4' energy: -74.028 flat angles C4'-P-C4' energy: -71.153 flat angles P-C4'-P energy: -54.669 tors. eta vs tors. theta energy: -75.331 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: 129 Temperature: 1.050000 Total energy: -948.151854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.151854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.151854 (E_RNA) where: Base-Base interactions energy: -625.130 where: short stacking energy: -269.123 Base-Backbone interact. energy: -1.870 local terms energy: -321.152131 where: bonds (distance) C4'-P energy: -56.392 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -73.847 flat angles P-C4'-P energy: -43.122 tors. eta vs tors. theta energy: -81.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -848.052024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.052024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.052024 (E_RNA) where: Base-Base interactions energy: -534.625 where: short stacking energy: -234.770 Base-Backbone interact. energy: -0.883 local terms energy: -312.544382 where: bonds (distance) C4'-P energy: -54.125 bonds (distance) P-C4' energy: -59.402 flat angles C4'-P-C4' energy: -77.369 flat angles P-C4'-P energy: -57.580 tors. eta vs tors. theta energy: -64.069 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: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -830.739165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.739165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.739165 (E_RNA) where: Base-Base interactions energy: -534.762 where: short stacking energy: -235.971 Base-Backbone interact. energy: -1.227 local terms energy: -294.750740 where: bonds (distance) C4'-P energy: -56.040 bonds (distance) P-C4' energy: -63.639 flat angles C4'-P-C4' energy: -60.847 flat angles P-C4'-P energy: -45.516 tors. eta vs tors. theta energy: -68.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -803.142645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.142645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.142645 (E_RNA) where: Base-Base interactions energy: -534.094 where: short stacking energy: -265.770 Base-Backbone interact. energy: -0.758 local terms energy: -268.290815 where: bonds (distance) C4'-P energy: -51.870 bonds (distance) P-C4' energy: -51.116 flat angles C4'-P-C4' energy: -63.339 flat angles P-C4'-P energy: -29.346 tors. eta vs tors. theta energy: -72.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -529.176935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.176935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.176935 (E_RNA) where: Base-Base interactions energy: -289.460 where: short stacking energy: -155.195 Base-Backbone interact. energy: 0.637 local terms energy: -240.354653 where: bonds (distance) C4'-P energy: -62.060 bonds (distance) P-C4' energy: -70.838 flat angles C4'-P-C4' energy: -51.239 flat angles P-C4'-P energy: -28.313 tors. eta vs tors. theta energy: -27.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -502.761969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.761969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.761969 (E_RNA) where: Base-Base interactions energy: -286.855 where: short stacking energy: -163.274 Base-Backbone interact. energy: 0.315 local terms energy: -216.221747 where: bonds (distance) C4'-P energy: -57.101 bonds (distance) P-C4' energy: -61.408 flat angles C4'-P-C4' energy: -33.257 flat angles P-C4'-P energy: -31.463 tors. eta vs tors. theta energy: -32.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -307.737657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.737657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.737657 (E_RNA) where: Base-Base interactions energy: -116.592 where: short stacking energy: -89.966 Base-Backbone interact. energy: 2.190 local terms energy: -193.336356 where: bonds (distance) C4'-P energy: -39.995 bonds (distance) P-C4' energy: -65.191 flat angles C4'-P-C4' energy: -56.880 flat angles P-C4'-P energy: -35.612 tors. eta vs tors. theta energy: 4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1093.609581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.609581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.609581 (E_RNA) where: Base-Base interactions energy: -726.000 where: short stacking energy: -348.874 Base-Backbone interact. energy: 0.055 local terms energy: -367.664855 where: bonds (distance) C4'-P energy: -66.073 bonds (distance) P-C4' energy: -67.284 flat angles C4'-P-C4' energy: -77.434 flat angles P-C4'-P energy: -59.447 tors. eta vs tors. theta energy: -97.428 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: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1034.110887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.110887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.110887 (E_RNA) where: Base-Base interactions energy: -676.563 where: short stacking energy: -298.962 Base-Backbone interact. energy: 1.168 local terms energy: -358.715905 where: bonds (distance) C4'-P energy: -66.053 bonds (distance) P-C4' energy: -68.810 flat angles C4'-P-C4' energy: -81.215 flat angles P-C4'-P energy: -58.754 tors. eta vs tors. theta energy: -83.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1007.077325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.077325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.077325 (E_RNA) where: Base-Base interactions energy: -674.486 where: short stacking energy: -307.851 Base-Backbone interact. energy: -0.386 local terms energy: -332.205300 where: bonds (distance) C4'-P energy: -70.467 bonds (distance) P-C4' energy: -59.952 flat angles C4'-P-C4' energy: -72.376 flat angles P-C4'-P energy: -45.760 tors. eta vs tors. theta energy: -83.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -938.957786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.957786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.957786 (E_RNA) where: Base-Base interactions energy: -618.985 where: short stacking energy: -280.199 Base-Backbone interact. energy: -0.074 local terms energy: -319.898618 where: bonds (distance) C4'-P energy: -57.594 bonds (distance) P-C4' energy: -65.502 flat angles C4'-P-C4' energy: -72.458 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: -78.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -874.193371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.193371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.193371 (E_RNA) where: Base-Base interactions energy: -593.925 where: short stacking energy: -259.031 Base-Backbone interact. energy: -1.277 local terms energy: -278.991899 where: bonds (distance) C4'-P energy: -57.534 bonds (distance) P-C4' energy: -56.407 flat angles C4'-P-C4' energy: -58.192 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -65.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -874.474162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.474162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.474162 (E_RNA) where: Base-Base interactions energy: -563.334 where: short stacking energy: -258.224 Base-Backbone interact. energy: -1.430 local terms energy: -309.709847 where: bonds (distance) C4'-P energy: -53.006 bonds (distance) P-C4' energy: -75.145 flat angles C4'-P-C4' energy: -74.953 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -64.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -771.215611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.215611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.215611 (E_RNA) where: Base-Base interactions energy: -492.374 where: short stacking energy: -253.636 Base-Backbone interact. energy: 0.056 local terms energy: -278.897675 where: bonds (distance) C4'-P energy: -53.650 bonds (distance) P-C4' energy: -51.499 flat angles C4'-P-C4' energy: -62.554 flat angles P-C4'-P energy: -44.024 tors. eta vs tors. theta energy: -67.172 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: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -540.286651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.286651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.286651 (E_RNA) where: Base-Base interactions energy: -294.442 where: short stacking energy: -145.400 Base-Backbone interact. energy: -0.442 local terms energy: -245.402424 where: bonds (distance) C4'-P energy: -62.039 bonds (distance) P-C4' energy: -57.428 flat angles C4'-P-C4' energy: -63.439 flat angles P-C4'-P energy: -42.203 tors. eta vs tors. theta energy: -20.294 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: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -509.752909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.752909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.752909 (E_RNA) where: Base-Base interactions energy: -281.827 where: short stacking energy: -153.381 Base-Backbone interact. energy: 5.195 local terms energy: -233.120242 where: bonds (distance) C4'-P energy: -66.857 bonds (distance) P-C4' energy: -57.431 flat angles C4'-P-C4' energy: -52.802 flat angles P-C4'-P energy: -33.769 tors. eta vs tors. theta energy: -22.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -294.584796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.584796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.584796 (E_RNA) where: Base-Base interactions energy: -105.773 where: short stacking energy: -84.875 Base-Backbone interact. energy: 2.440 local terms energy: -191.252579 where: bonds (distance) C4'-P energy: -57.245 bonds (distance) P-C4' energy: -71.025 flat angles C4'-P-C4' energy: -39.372 flat angles P-C4'-P energy: -24.903 tors. eta vs tors. theta energy: 1.293 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: 1, replica: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1090.387007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.387007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.387007 (E_RNA) where: Base-Base interactions energy: -720.283 where: short stacking energy: -355.182 Base-Backbone interact. energy: -0.107 local terms energy: -369.996917 where: bonds (distance) C4'-P energy: -69.730 bonds (distance) P-C4' energy: -70.221 flat angles C4'-P-C4' energy: -76.732 flat angles P-C4'-P energy: -55.214 tors. eta vs tors. theta energy: -98.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1061.120058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.120058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.120058 (E_RNA) where: Base-Base interactions energy: -700.503 where: short stacking energy: -316.836 Base-Backbone interact. energy: -0.076 local terms energy: -360.540454 where: bonds (distance) C4'-P energy: -63.746 bonds (distance) P-C4' energy: -78.401 flat angles C4'-P-C4' energy: -73.657 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -90.902 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: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1022.132687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.132687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.132687 (E_RNA) where: Base-Base interactions energy: -663.551 where: short stacking energy: -301.685 Base-Backbone interact. energy: -0.940 local terms energy: -357.641507 where: bonds (distance) C4'-P energy: -69.509 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -75.149 flat angles P-C4'-P energy: -59.463 tors. eta vs tors. theta energy: -87.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -953.908834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.908834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.908834 (E_RNA) where: Base-Base interactions energy: -638.540 where: short stacking energy: -294.595 Base-Backbone interact. energy: -0.333 local terms energy: -315.035667 where: bonds (distance) C4'-P energy: -58.430 bonds (distance) P-C4' energy: -67.089 flat angles C4'-P-C4' energy: -69.222 flat angles P-C4'-P energy: -30.302 tors. eta vs tors. theta energy: -89.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -866.225192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.225192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.225192 (E_RNA) where: Base-Base interactions energy: -547.416 where: short stacking energy: -235.187 Base-Backbone interact. energy: -0.351 local terms energy: -318.458448 where: bonds (distance) C4'-P energy: -62.402 bonds (distance) P-C4' energy: -73.625 flat angles C4'-P-C4' energy: -73.956 flat angles P-C4'-P energy: -43.310 tors. eta vs tors. theta energy: -65.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -845.374253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.374253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.374253 (E_RNA) where: Base-Base interactions energy: -549.657 where: short stacking energy: -250.401 Base-Backbone interact. energy: 3.146 local terms energy: -298.863353 where: bonds (distance) C4'-P energy: -56.884 bonds (distance) P-C4' energy: -64.112 flat angles C4'-P-C4' energy: -63.773 flat angles P-C4'-P energy: -47.756 tors. eta vs tors. theta energy: -66.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -766.145790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.145790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.145790 (E_RNA) where: Base-Base interactions energy: -488.187 where: short stacking energy: -243.926 Base-Backbone interact. energy: 1.581 local terms energy: -279.540100 where: bonds (distance) C4'-P energy: -60.411 bonds (distance) P-C4' energy: -69.995 flat angles C4'-P-C4' energy: -52.418 flat angles P-C4'-P energy: -35.338 tors. eta vs tors. theta energy: -61.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -562.320103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.320103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.320103 (E_RNA) where: Base-Base interactions energy: -340.534 where: short stacking energy: -168.290 Base-Backbone interact. energy: -0.579 local terms energy: -221.207324 where: bonds (distance) C4'-P energy: -47.644 bonds (distance) P-C4' energy: -65.298 flat angles C4'-P-C4' energy: -52.640 flat angles P-C4'-P energy: -34.237 tors. eta vs tors. theta energy: -21.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -464.774448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.774448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.774448 (E_RNA) where: Base-Base interactions energy: -260.980 where: short stacking energy: -129.372 Base-Backbone interact. energy: -0.925 local terms energy: -202.870072 where: bonds (distance) C4'-P energy: -56.029 bonds (distance) P-C4' energy: -52.902 flat angles C4'-P-C4' energy: -52.376 flat angles P-C4'-P energy: -27.173 tors. eta vs tors. theta energy: -14.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -293.211019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.211019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.211019 (E_RNA) where: Base-Base interactions energy: -85.945 where: short stacking energy: -80.944 Base-Backbone interact. energy: -1.302 local terms energy: -205.963727 where: bonds (distance) C4'-P energy: -54.681 bonds (distance) P-C4' energy: -67.838 flat angles C4'-P-C4' energy: -55.723 flat angles P-C4'-P energy: -35.332 tors. eta vs tors. theta energy: 7.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1114.600910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.600910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.600910 (E_RNA) where: Base-Base interactions energy: -748.585 where: short stacking energy: -360.877 Base-Backbone interact. energy: -0.443 local terms energy: -365.573399 where: bonds (distance) C4'-P energy: -54.263 bonds (distance) P-C4' energy: -72.072 flat angles C4'-P-C4' energy: -83.432 flat angles P-C4'-P energy: -49.791 tors. eta vs tors. theta energy: -106.016 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: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1062.613098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.613098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.613098 (E_RNA) where: Base-Base interactions energy: -716.787 where: short stacking energy: -339.610 Base-Backbone interact. energy: 1.118 local terms energy: -346.943823 where: bonds (distance) C4'-P energy: -56.063 bonds (distance) P-C4' energy: -72.843 flat angles C4'-P-C4' energy: -72.465 flat angles P-C4'-P energy: -54.079 tors. eta vs tors. theta energy: -91.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1027.814448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.814448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.814448 (E_RNA) where: Base-Base interactions energy: -685.785 where: short stacking energy: -309.786 Base-Backbone interact. energy: -1.804 local terms energy: -340.225214 where: bonds (distance) C4'-P energy: -60.371 bonds (distance) P-C4' energy: -71.645 flat angles C4'-P-C4' energy: -70.473 flat angles P-C4'-P energy: -52.727 tors. eta vs tors. theta energy: -85.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -930.017662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.017662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.017662 (E_RNA) where: Base-Base interactions energy: -609.921 where: short stacking energy: -275.961 Base-Backbone interact. energy: -0.132 local terms energy: -319.964049 where: bonds (distance) C4'-P energy: -66.043 bonds (distance) P-C4' energy: -72.110 flat angles C4'-P-C4' energy: -67.602 flat angles P-C4'-P energy: -40.976 tors. eta vs tors. theta energy: -73.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -871.009796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.009796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.009796 (E_RNA) where: Base-Base interactions energy: -557.522 where: short stacking energy: -272.189 Base-Backbone interact. energy: 0.926 local terms energy: -314.413063 where: bonds (distance) C4'-P energy: -72.700 bonds (distance) P-C4' energy: -61.246 flat angles C4'-P-C4' energy: -63.964 flat angles P-C4'-P energy: -42.369 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: 132 Temperature: 1.150000 Total energy: -839.949800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.949800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.949800 (E_RNA) where: Base-Base interactions energy: -543.502 where: short stacking energy: -259.844 Base-Backbone interact. energy: -0.668 local terms energy: -295.780166 where: bonds (distance) C4'-P energy: -54.741 bonds (distance) P-C4' energy: -63.636 flat angles C4'-P-C4' energy: -59.782 flat angles P-C4'-P energy: -43.139 tors. eta vs tors. theta energy: -74.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -735.170010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.170010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.170010 (E_RNA) where: Base-Base interactions energy: -459.819 where: short stacking energy: -211.138 Base-Backbone interact. energy: -0.114 local terms energy: -275.236807 where: bonds (distance) C4'-P energy: -54.910 bonds (distance) P-C4' energy: -69.398 flat angles C4'-P-C4' energy: -64.893 flat angles P-C4'-P energy: -35.998 tors. eta vs tors. theta energy: -50.037 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: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -531.490811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.490811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.490811 (E_RNA) where: Base-Base interactions energy: -321.950 where: short stacking energy: -159.641 Base-Backbone interact. energy: 2.105 local terms energy: -211.646083 where: bonds (distance) C4'-P energy: -54.559 bonds (distance) P-C4' energy: -45.283 flat angles C4'-P-C4' energy: -59.017 flat angles P-C4'-P energy: -40.530 tors. eta vs tors. theta energy: -12.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -480.517180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.517180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.517180 (E_RNA) where: Base-Base interactions energy: -272.737 where: short stacking energy: -141.750 Base-Backbone interact. energy: -0.183 local terms energy: -207.597482 where: bonds (distance) C4'-P energy: -51.251 bonds (distance) P-C4' energy: -57.668 flat angles C4'-P-C4' energy: -58.935 flat angles P-C4'-P energy: -32.876 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: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -299.358584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.358584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.358584 (E_RNA) where: Base-Base interactions energy: -104.188 where: short stacking energy: -77.314 Base-Backbone interact. energy: -0.339 local terms energy: -194.831297 where: bonds (distance) C4'-P energy: -50.550 bonds (distance) P-C4' energy: -64.176 flat angles C4'-P-C4' energy: -52.543 flat angles P-C4'-P energy: -33.107 tors. eta vs tors. theta energy: 5.544 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: 4 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1078.636176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.636176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.636176 (E_RNA) where: Base-Base interactions energy: -711.806 where: short stacking energy: -331.754 Base-Backbone interact. energy: -1.291 local terms energy: -365.539376 where: bonds (distance) C4'-P energy: -71.586 bonds (distance) P-C4' energy: -67.435 flat angles C4'-P-C4' energy: -80.003 flat angles P-C4'-P energy: -48.955 tors. eta vs tors. theta energy: -97.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1060.125279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.125279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.125279 (E_RNA) where: Base-Base interactions energy: -702.086 where: short stacking energy: -325.128 Base-Backbone interact. energy: 0.747 local terms energy: -358.785565 where: bonds (distance) C4'-P energy: -60.660 bonds (distance) P-C4' energy: -71.161 flat angles C4'-P-C4' energy: -82.005 flat angles P-C4'-P energy: -50.658 tors. eta vs tors. theta energy: -94.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1011.041990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.041990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.041990 (E_RNA) where: Base-Base interactions energy: -674.355 where: short stacking energy: -298.718 Base-Backbone interact. energy: -0.260 local terms energy: -336.426810 where: bonds (distance) C4'-P energy: -60.638 bonds (distance) P-C4' energy: -70.139 flat angles C4'-P-C4' energy: -76.475 flat angles P-C4'-P energy: -45.680 tors. eta vs tors. theta energy: -83.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -966.874749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.874749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.874749 (E_RNA) where: Base-Base interactions energy: -628.667 where: short stacking energy: -291.349 Base-Backbone interact. energy: 1.075 local terms energy: -339.282586 where: bonds (distance) C4'-P energy: -67.110 bonds (distance) P-C4' energy: -73.848 flat angles C4'-P-C4' energy: -69.743 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -86.692 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: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -886.515002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.515002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.515002 (E_RNA) where: Base-Base interactions energy: -584.905 where: short stacking energy: -268.400 Base-Backbone interact. energy: -1.838 local terms energy: -299.772093 where: bonds (distance) C4'-P energy: -64.662 bonds (distance) P-C4' energy: -54.644 flat angles C4'-P-C4' energy: -71.389 flat angles P-C4'-P energy: -43.095 tors. eta vs tors. theta energy: -65.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -858.957557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.957557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.957557 (E_RNA) where: Base-Base interactions energy: -564.513 where: short stacking energy: -267.857 Base-Backbone interact. energy: 0.319 local terms energy: -294.763400 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -58.785 flat angles C4'-P-C4' energy: -67.954 flat angles P-C4'-P energy: -45.937 tors. eta vs tors. theta energy: -65.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -718.156486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.156486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.156486 (E_RNA) where: Base-Base interactions energy: -453.436 where: short stacking energy: -223.180 Base-Backbone interact. energy: 2.531 local terms energy: -267.252026 where: bonds (distance) C4'-P energy: -52.223 bonds (distance) P-C4' energy: -64.301 flat angles C4'-P-C4' energy: -56.276 flat angles P-C4'-P energy: -34.844 tors. eta vs tors. theta energy: -59.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -502.342031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.342031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.342031 (E_RNA) where: Base-Base interactions energy: -270.561 where: short stacking energy: -148.732 Base-Backbone interact. energy: 1.829 local terms energy: -233.609934 where: bonds (distance) C4'-P energy: -68.033 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -51.545 flat angles P-C4'-P energy: -24.632 tors. eta vs tors. theta energy: -25.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -469.091583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.091583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.091583 (E_RNA) where: Base-Base interactions energy: -252.169 where: short stacking energy: -142.823 Base-Backbone interact. energy: 0.114 local terms energy: -217.036925 where: bonds (distance) C4'-P energy: -69.178 bonds (distance) P-C4' energy: -52.687 flat angles C4'-P-C4' energy: -46.108 flat angles P-C4'-P energy: -33.624 tors. eta vs tors. theta energy: -15.440 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: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -288.476872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.476872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.476872 (E_RNA) where: Base-Base interactions energy: -86.399 where: short stacking energy: -64.978 Base-Backbone interact. energy: -0.996 local terms energy: -201.082120 where: bonds (distance) C4'-P energy: -53.156 bonds (distance) P-C4' energy: -69.502 flat angles C4'-P-C4' energy: -49.532 flat angles P-C4'-P energy: -26.569 tors. eta vs tors. theta energy: -2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1071.311520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.311520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.311520 (E_RNA) where: Base-Base interactions energy: -724.895 where: short stacking energy: -330.505 Base-Backbone interact. energy: -3.243 local terms energy: -343.173985 where: bonds (distance) C4'-P energy: -72.180 bonds (distance) P-C4' energy: -67.923 flat angles C4'-P-C4' energy: -72.383 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -83.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1074.248696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.248696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.248696 (E_RNA) where: Base-Base interactions energy: -712.221 where: short stacking energy: -331.165 Base-Backbone interact. energy: -0.465 local terms energy: -361.562708 where: bonds (distance) C4'-P energy: -72.739 bonds (distance) P-C4' energy: -71.862 flat angles C4'-P-C4' energy: -77.688 flat angles P-C4'-P energy: -49.788 tors. eta vs tors. theta energy: -89.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1023.322092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.322092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.322092 (E_RNA) where: Base-Base interactions energy: -669.740 where: short stacking energy: -312.668 Base-Backbone interact. energy: 0.775 local terms energy: -354.356517 where: bonds (distance) C4'-P energy: -74.867 bonds (distance) P-C4' energy: -70.533 flat angles C4'-P-C4' energy: -65.233 flat angles P-C4'-P energy: -50.362 tors. eta vs tors. theta energy: -93.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -949.674038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.674038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.674038 (E_RNA) where: Base-Base interactions energy: -616.937 where: short stacking energy: -299.727 Base-Backbone interact. energy: -0.514 local terms energy: -332.223358 where: bonds (distance) C4'-P energy: -64.124 bonds (distance) P-C4' energy: -73.387 flat angles C4'-P-C4' energy: -65.670 flat angles P-C4'-P energy: -42.816 tors. eta vs tors. theta energy: -86.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -883.799861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.799861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.799861 (E_RNA) where: Base-Base interactions energy: -583.733 where: short stacking energy: -269.416 Base-Backbone interact. energy: -0.235 local terms energy: -299.832013 where: bonds (distance) C4'-P energy: -48.373 bonds (distance) P-C4' energy: -62.199 flat angles C4'-P-C4' energy: -67.392 flat angles P-C4'-P energy: -47.619 tors. eta vs tors. theta energy: -74.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -828.309068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.309068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.309068 (E_RNA) where: Base-Base interactions energy: -549.637 where: short stacking energy: -251.928 Base-Backbone interact. energy: 0.565 local terms energy: -279.236496 where: bonds (distance) C4'-P energy: -67.161 bonds (distance) P-C4' energy: -54.473 flat angles C4'-P-C4' energy: -65.789 flat angles P-C4'-P energy: -36.229 tors. eta vs tors. theta energy: -55.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -676.565457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.565457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.565457 (E_RNA) where: Base-Base interactions energy: -424.568 where: short stacking energy: -216.982 Base-Backbone interact. energy: -1.212 local terms energy: -250.786356 where: bonds (distance) C4'-P energy: -58.608 bonds (distance) P-C4' energy: -74.427 flat angles C4'-P-C4' energy: -56.496 flat angles P-C4'-P energy: -23.999 tors. eta vs tors. theta energy: -37.257 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: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -507.319675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.319675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.319675 (E_RNA) where: Base-Base interactions energy: -276.124 where: short stacking energy: -158.747 Base-Backbone interact. energy: -0.500 local terms energy: -230.695712 where: bonds (distance) C4'-P energy: -61.248 bonds (distance) P-C4' energy: -58.460 flat angles C4'-P-C4' energy: -49.651 flat angles P-C4'-P energy: -34.480 tors. eta vs tors. theta energy: -26.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -470.444890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.444890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.444890 (E_RNA) where: Base-Base interactions energy: -246.481 where: short stacking energy: -136.249 Base-Backbone interact. energy: 3.570 local terms energy: -227.534414 where: bonds (distance) C4'-P energy: -57.458 bonds (distance) P-C4' energy: -64.530 flat angles C4'-P-C4' energy: -61.099 flat angles P-C4'-P energy: -27.252 tors. eta vs tors. theta energy: -17.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -287.883799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.883799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.883799 (E_RNA) where: Base-Base interactions energy: -97.953 where: short stacking energy: -84.122 Base-Backbone interact. energy: 2.080 local terms energy: -192.011218 where: bonds (distance) C4'-P energy: -52.901 bonds (distance) P-C4' energy: -65.864 flat angles C4'-P-C4' energy: -53.095 flat angles P-C4'-P energy: -37.261 tors. eta vs tors. theta energy: 17.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1072.408935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.408935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.408935 (E_RNA) where: Base-Base interactions energy: -718.310 where: short stacking energy: -325.970 Base-Backbone interact. energy: 2.592 local terms energy: -356.690984 where: bonds (distance) C4'-P energy: -65.828 bonds (distance) P-C4' energy: -68.950 flat angles C4'-P-C4' energy: -80.920 flat angles P-C4'-P energy: -50.283 tors. eta vs tors. theta energy: -90.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1062.829631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.829631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.829631 (E_RNA) where: Base-Base interactions energy: -700.344 where: short stacking energy: -333.262 Base-Backbone interact. energy: 1.485 local terms energy: -363.970706 where: bonds (distance) C4'-P energy: -62.671 bonds (distance) P-C4' energy: -72.759 flat angles C4'-P-C4' energy: -81.195 flat angles P-C4'-P energy: -52.852 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: 3, replica: 1 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1001.372342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.372342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.372342 (E_RNA) where: Base-Base interactions energy: -675.624 where: short stacking energy: -311.200 Base-Backbone interact. energy: -1.987 local terms energy: -323.761178 where: bonds (distance) C4'-P energy: -57.782 bonds (distance) P-C4' energy: -64.419 flat angles C4'-P-C4' energy: -69.117 flat angles P-C4'-P energy: -44.124 tors. eta vs tors. theta energy: -88.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -944.042281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.042281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.042281 (E_RNA) where: Base-Base interactions energy: -615.538 where: short stacking energy: -288.184 Base-Backbone interact. energy: -0.764 local terms energy: -327.740427 where: bonds (distance) C4'-P energy: -58.625 bonds (distance) P-C4' energy: -70.938 flat angles C4'-P-C4' energy: -70.941 flat angles P-C4'-P energy: -48.089 tors. eta vs tors. theta energy: -79.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -878.800606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.800606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.800606 (E_RNA) where: Base-Base interactions energy: -588.074 where: short stacking energy: -255.607 Base-Backbone interact. energy: 1.184 local terms energy: -291.910503 where: bonds (distance) C4'-P energy: -45.814 bonds (distance) P-C4' energy: -63.451 flat angles C4'-P-C4' energy: -64.600 flat angles P-C4'-P energy: -43.912 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: 135 Temperature: 1.150000 Total energy: -839.694995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.694995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.694995 (E_RNA) where: Base-Base interactions energy: -562.489 where: short stacking energy: -261.160 Base-Backbone interact. energy: -0.321 local terms energy: -276.885368 where: bonds (distance) C4'-P energy: -60.319 bonds (distance) P-C4' energy: -60.292 flat angles C4'-P-C4' energy: -65.747 flat angles P-C4'-P energy: -27.605 tors. eta vs tors. theta energy: -62.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -699.423453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.423453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.423453 (E_RNA) where: Base-Base interactions energy: -441.282 where: short stacking energy: -212.403 Base-Backbone interact. energy: -1.301 local terms energy: -256.841103 where: bonds (distance) C4'-P energy: -56.204 bonds (distance) P-C4' energy: -64.173 flat angles C4'-P-C4' energy: -60.861 flat angles P-C4'-P energy: -35.125 tors. eta vs tors. theta energy: -40.477 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: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -485.370419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.370419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.370419 (E_RNA) where: Base-Base interactions energy: -253.813 where: short stacking energy: -137.896 Base-Backbone interact. energy: -0.038 local terms energy: -231.519112 where: bonds (distance) C4'-P energy: -54.940 bonds (distance) P-C4' energy: -61.293 flat angles C4'-P-C4' energy: -71.785 flat angles P-C4'-P energy: -29.125 tors. eta vs tors. theta energy: -14.376 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: 6 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -462.285969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.285969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.285969 (E_RNA) where: Base-Base interactions energy: -233.064 where: short stacking energy: -133.606 Base-Backbone interact. energy: 0.631 local terms energy: -229.853377 where: bonds (distance) C4'-P energy: -71.148 bonds (distance) P-C4' energy: -65.670 flat angles C4'-P-C4' energy: -51.602 flat angles P-C4'-P energy: -28.799 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: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -284.152144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.152144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.152144 (E_RNA) where: Base-Base interactions energy: -114.823 where: short stacking energy: -94.231 Base-Backbone interact. energy: 0.879 local terms energy: -170.208170 where: bonds (distance) C4'-P energy: -35.393 bonds (distance) P-C4' energy: -59.025 flat angles C4'-P-C4' energy: -48.474 flat angles P-C4'-P energy: -30.065 tors. eta vs tors. theta energy: 2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1091.913203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.913203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.913203 (E_RNA) where: Base-Base interactions energy: -736.531 where: short stacking energy: -338.236 Base-Backbone interact. energy: 0.508 local terms energy: -355.889692 where: bonds (distance) C4'-P energy: -66.993 bonds (distance) P-C4' energy: -74.472 flat angles C4'-P-C4' energy: -75.719 flat angles P-C4'-P energy: -50.742 tors. eta vs tors. theta energy: -87.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1062.966204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.966204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.966204 (E_RNA) where: Base-Base interactions energy: -710.266 where: short stacking energy: -325.736 Base-Backbone interact. energy: -0.229 local terms energy: -352.471419 where: bonds (distance) C4'-P energy: -67.871 bonds (distance) P-C4' energy: -64.090 flat angles C4'-P-C4' energy: -78.201 flat angles P-C4'-P energy: -50.971 tors. eta vs tors. theta energy: -91.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1035.113940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.113940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.113940 (E_RNA) where: Base-Base interactions energy: -688.736 where: short stacking energy: -312.739 Base-Backbone interact. energy: -0.165 local terms energy: -346.212768 where: bonds (distance) C4'-P energy: -69.557 bonds (distance) P-C4' energy: -67.660 flat angles C4'-P-C4' energy: -72.927 flat angles P-C4'-P energy: -53.482 tors. eta vs tors. theta energy: -82.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -927.464337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.464337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.464337 (E_RNA) where: Base-Base interactions energy: -616.419 where: short stacking energy: -272.843 Base-Backbone interact. energy: 2.659 local terms energy: -313.703709 where: bonds (distance) C4'-P energy: -50.487 bonds (distance) P-C4' energy: -67.302 flat angles C4'-P-C4' energy: -74.971 flat angles P-C4'-P energy: -41.480 tors. eta vs tors. theta energy: -79.465 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: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -873.959714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.959714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.959714 (E_RNA) where: Base-Base interactions energy: -582.512 where: short stacking energy: -230.796 Base-Backbone interact. energy: -1.894 local terms energy: -289.554337 where: bonds (distance) C4'-P energy: -70.905 bonds (distance) P-C4' energy: -64.287 flat angles C4'-P-C4' energy: -54.473 flat angles P-C4'-P energy: -45.217 tors. eta vs tors. theta energy: -54.672 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: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -779.193106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.193106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.193106 (E_RNA) where: Base-Base interactions energy: -508.357 where: short stacking energy: -246.592 Base-Backbone interact. energy: 1.002 local terms energy: -271.837920 where: bonds (distance) C4'-P energy: -46.348 bonds (distance) P-C4' energy: -65.387 flat angles C4'-P-C4' energy: -70.408 flat angles P-C4'-P energy: -39.454 tors. eta vs tors. theta energy: -50.241 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: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -644.461423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.461423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.461423 (E_RNA) where: Base-Base interactions energy: -419.888 where: short stacking energy: -198.298 Base-Backbone interact. energy: 0.280 local terms energy: -224.853602 where: bonds (distance) C4'-P energy: -46.203 bonds (distance) P-C4' energy: -53.090 flat angles C4'-P-C4' energy: -63.747 flat angles P-C4'-P energy: -24.143 tors. eta vs tors. theta energy: -37.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -479.103202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.103202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.103202 (E_RNA) where: Base-Base interactions energy: -254.965 where: short stacking energy: -164.985 Base-Backbone interact. energy: 1.190 local terms energy: -225.328141 where: bonds (distance) C4'-P energy: -56.097 bonds (distance) P-C4' energy: -55.955 flat angles C4'-P-C4' energy: -38.534 flat angles P-C4'-P energy: -43.564 tors. eta vs tors. theta energy: -31.177 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: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -463.780127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.780127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.780127 (E_RNA) where: Base-Base interactions energy: -255.788 where: short stacking energy: -148.056 Base-Backbone interact. energy: -0.496 local terms energy: -207.495913 where: bonds (distance) C4'-P energy: -56.801 bonds (distance) P-C4' energy: -51.526 flat angles C4'-P-C4' energy: -51.617 flat angles P-C4'-P energy: -27.444 tors. eta vs tors. theta energy: -20.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -311.622894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.622894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.622894 (E_RNA) where: Base-Base interactions energy: -128.060 where: short stacking energy: -77.442 Base-Backbone interact. energy: 0.799 local terms energy: -184.362331 where: bonds (distance) C4'-P energy: -52.341 bonds (distance) P-C4' energy: -62.939 flat angles C4'-P-C4' energy: -57.534 flat angles P-C4'-P energy: -23.320 tors. eta vs tors. theta energy: 11.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1093.836585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.836585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.836585 (E_RNA) where: Base-Base interactions energy: -716.676 where: short stacking energy: -327.092 Base-Backbone interact. energy: -0.893 local terms energy: -376.267089 where: bonds (distance) C4'-P energy: -74.749 bonds (distance) P-C4' energy: -71.285 flat angles C4'-P-C4' energy: -80.104 flat angles P-C4'-P energy: -56.551 tors. eta vs tors. theta energy: -93.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1066.513478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.513478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.513478 (E_RNA) where: Base-Base interactions energy: -707.415 where: short stacking energy: -335.041 Base-Backbone interact. energy: -1.661 local terms energy: -357.437603 where: bonds (distance) C4'-P energy: -61.842 bonds (distance) P-C4' energy: -64.255 flat angles C4'-P-C4' energy: -77.987 flat angles P-C4'-P energy: -55.503 tors. eta vs tors. theta energy: -97.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1002.305366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.305366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.305366 (E_RNA) where: Base-Base interactions energy: -681.560 where: short stacking energy: -304.476 Base-Backbone interact. energy: -0.007 local terms energy: -320.738240 where: bonds (distance) C4'-P energy: -68.773 bonds (distance) P-C4' energy: -54.259 flat angles C4'-P-C4' energy: -75.417 flat angles P-C4'-P energy: -39.639 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: 4, replica: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -915.503703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.503703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.503703 (E_RNA) where: Base-Base interactions energy: -578.368 where: short stacking energy: -261.253 Base-Backbone interact. energy: 0.747 local terms energy: -337.882899 where: bonds (distance) C4'-P energy: -76.477 bonds (distance) P-C4' energy: -74.254 flat angles C4'-P-C4' energy: -70.507 flat angles P-C4'-P energy: -43.949 tors. eta vs tors. theta energy: -72.696 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: 137 Temperature: 1.100000 Total energy: -927.882359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.882359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.882359 (E_RNA) where: Base-Base interactions energy: -612.917 where: short stacking energy: -280.898 Base-Backbone interact. energy: -0.168 local terms energy: -314.796962 where: bonds (distance) C4'-P energy: -60.414 bonds (distance) P-C4' energy: -64.936 flat angles C4'-P-C4' energy: -59.595 flat angles P-C4'-P energy: -41.523 tors. eta vs tors. theta energy: -88.330 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: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -847.345850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.345850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.345850 (E_RNA) where: Base-Base interactions energy: -548.721 where: short stacking energy: -265.149 Base-Backbone interact. energy: -0.334 local terms energy: -298.290467 where: bonds (distance) C4'-P energy: -60.877 bonds (distance) P-C4' energy: -52.883 flat angles C4'-P-C4' energy: -62.298 flat angles P-C4'-P energy: -48.888 tors. eta vs tors. theta energy: -73.345 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: 7, replica: 5 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -684.560767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.560767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.560767 (E_RNA) where: Base-Base interactions energy: -423.973 where: short stacking energy: -210.919 Base-Backbone interact. energy: -1.310 local terms energy: -259.277467 where: bonds (distance) C4'-P energy: -56.308 bonds (distance) P-C4' energy: -58.792 flat angles C4'-P-C4' energy: -55.808 flat angles P-C4'-P energy: -39.215 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: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -548.690564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.690564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.690564 (E_RNA) where: Base-Base interactions energy: -308.263 where: short stacking energy: -148.495 Base-Backbone interact. energy: 0.322 local terms energy: -240.749082 where: bonds (distance) C4'-P energy: -71.452 bonds (distance) P-C4' energy: -66.091 flat angles C4'-P-C4' energy: -52.762 flat angles P-C4'-P energy: -32.437 tors. eta vs tors. theta energy: -18.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -439.751394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.751394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.751394 (E_RNA) where: Base-Base interactions energy: -213.118 where: short stacking energy: -125.047 Base-Backbone interact. energy: -0.881 local terms energy: -225.752504 where: bonds (distance) C4'-P energy: -63.146 bonds (distance) P-C4' energy: -55.767 flat angles C4'-P-C4' energy: -52.501 flat angles P-C4'-P energy: -35.560 tors. eta vs tors. theta energy: -18.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -280.346225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.346225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.346225 (E_RNA) where: Base-Base interactions energy: -104.820 where: short stacking energy: -86.118 Base-Backbone interact. energy: -1.582 local terms energy: -173.944159 where: bonds (distance) C4'-P energy: -28.306 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -57.486 flat angles P-C4'-P energy: -35.738 tors. eta vs tors. theta energy: 6.732 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: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1072.540129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.540129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.540129 (E_RNA) where: Base-Base interactions energy: -717.495 where: short stacking energy: -326.156 Base-Backbone interact. energy: -0.283 local terms energy: -354.761548 where: bonds (distance) C4'-P energy: -58.276 bonds (distance) P-C4' energy: -76.517 flat angles C4'-P-C4' energy: -78.862 flat angles P-C4'-P energy: -51.243 tors. eta vs tors. theta energy: -89.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1071.877072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.877072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.877072 (E_RNA) where: Base-Base interactions energy: -714.174 where: short stacking energy: -334.676 Base-Backbone interact. energy: -1.180 local terms energy: -356.522693 where: bonds (distance) C4'-P energy: -63.357 bonds (distance) P-C4' energy: -66.006 flat angles C4'-P-C4' energy: -79.281 flat angles P-C4'-P energy: -50.803 tors. eta vs tors. theta energy: -97.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -945.345886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.345886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.345886 (E_RNA) where: Base-Base interactions energy: -612.879 where: short stacking energy: -284.337 Base-Backbone interact. energy: -0.439 local terms energy: -332.027671 where: bonds (distance) C4'-P energy: -66.742 bonds (distance) P-C4' energy: -65.349 flat angles C4'-P-C4' energy: -72.084 flat angles P-C4'-P energy: -45.254 tors. eta vs tors. theta energy: -82.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -973.660003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.660003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.660003 (E_RNA) where: Base-Base interactions energy: -640.622 where: short stacking energy: -293.495 Base-Backbone interact. energy: -3.486 local terms energy: -329.551315 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -65.298 flat angles C4'-P-C4' energy: -76.484 flat angles P-C4'-P energy: -44.710 tors. eta vs tors. theta energy: -82.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -843.402162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.402162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.402162 (E_RNA) where: Base-Base interactions energy: -574.251 where: short stacking energy: -253.506 Base-Backbone interact. energy: -1.508 local terms energy: -267.643812 where: bonds (distance) C4'-P energy: -49.257 bonds (distance) P-C4' energy: -49.081 flat angles C4'-P-C4' energy: -70.569 flat angles P-C4'-P energy: -37.557 tors. eta vs tors. theta energy: -61.180 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: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -836.119574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.119574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.119574 (E_RNA) where: Base-Base interactions energy: -536.278 where: short stacking energy: -252.089 Base-Backbone interact. energy: -0.559 local terms energy: -299.282057 where: bonds (distance) C4'-P energy: -65.688 bonds (distance) P-C4' energy: -68.399 flat angles C4'-P-C4' energy: -61.279 flat angles P-C4'-P energy: -34.573 tors. eta vs tors. theta energy: -69.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -655.106200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.106200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.106200 (E_RNA) where: Base-Base interactions energy: -385.331 where: short stacking energy: -204.849 Base-Backbone interact. energy: -1.235 local terms energy: -268.541046 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -67.001 flat angles C4'-P-C4' energy: -60.844 flat angles P-C4'-P energy: -38.729 tors. eta vs tors. theta energy: -42.179 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: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -553.808401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.808401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.808401 (E_RNA) where: Base-Base interactions energy: -317.853 where: short stacking energy: -163.002 Base-Backbone interact. energy: -0.294 local terms energy: -235.661585 where: bonds (distance) C4'-P energy: -58.736 bonds (distance) P-C4' energy: -56.966 flat angles C4'-P-C4' energy: -44.979 flat angles P-C4'-P energy: -46.012 tors. eta vs tors. theta energy: -28.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -459.826723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.826723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.826723 (E_RNA) where: Base-Base interactions energy: -269.033 where: short stacking energy: -160.176 Base-Backbone interact. energy: -0.761 local terms energy: -190.032308 where: bonds (distance) C4'-P energy: -57.996 bonds (distance) P-C4' energy: -44.301 flat angles C4'-P-C4' energy: -46.037 flat angles P-C4'-P energy: -31.909 tors. eta vs tors. theta energy: -9.789 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: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -284.846957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.846957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.846957 (E_RNA) where: Base-Base interactions energy: -98.233 where: short stacking energy: -65.318 Base-Backbone interact. energy: -0.528 local terms energy: -186.085843 where: bonds (distance) C4'-P energy: -49.751 bonds (distance) P-C4' energy: -59.651 flat angles C4'-P-C4' energy: -64.368 flat angles P-C4'-P energy: -24.882 tors. eta vs tors. theta energy: 12.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1071.713456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.713456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.713456 (E_RNA) where: Base-Base interactions energy: -715.169 where: short stacking energy: -331.155 Base-Backbone interact. energy: 0.371 local terms energy: -356.915855 where: bonds (distance) C4'-P energy: -78.135 bonds (distance) P-C4' energy: -71.137 flat angles C4'-P-C4' energy: -72.414 flat angles P-C4'-P energy: -41.972 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: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1074.204315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.204315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.204315 (E_RNA) where: Base-Base interactions energy: -707.377 where: short stacking energy: -319.206 Base-Backbone interact. energy: -0.338 local terms energy: -366.489913 where: bonds (distance) C4'-P energy: -76.054 bonds (distance) P-C4' energy: -68.258 flat angles C4'-P-C4' energy: -74.592 flat angles P-C4'-P energy: -51.618 tors. eta vs tors. theta energy: -95.968 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: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -961.971711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.971711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.971711 (E_RNA) where: Base-Base interactions energy: -629.016 where: short stacking energy: -303.676 Base-Backbone interact. energy: 1.598 local terms energy: -334.553864 where: bonds (distance) C4'-P energy: -70.034 bonds (distance) P-C4' energy: -71.744 flat angles C4'-P-C4' energy: -76.394 flat angles P-C4'-P energy: -33.129 tors. eta vs tors. theta energy: -83.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -886.685028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.685028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.685028 (E_RNA) where: Base-Base interactions energy: -594.114 where: short stacking energy: -274.444 Base-Backbone interact. energy: 0.877 local terms energy: -293.448131 where: bonds (distance) C4'-P energy: -60.125 bonds (distance) P-C4' energy: -73.924 flat angles C4'-P-C4' energy: -66.616 flat angles P-C4'-P energy: -34.181 tors. eta vs tors. theta energy: -58.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -914.317768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.317768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.317768 (E_RNA) where: Base-Base interactions energy: -623.472 where: short stacking energy: -260.843 Base-Backbone interact. energy: -1.202 local terms energy: -289.643292 where: bonds (distance) C4'-P energy: -58.509 bonds (distance) P-C4' energy: -55.112 flat angles C4'-P-C4' energy: -62.397 flat angles P-C4'-P energy: -42.345 tors. eta vs tors. theta energy: -71.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -864.846552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.846552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.846552 (E_RNA) where: Base-Base interactions energy: -549.570 where: short stacking energy: -272.702 Base-Backbone interact. energy: -0.338 local terms energy: -314.939036 where: bonds (distance) C4'-P energy: -70.157 bonds (distance) P-C4' energy: -56.785 flat angles C4'-P-C4' energy: -61.926 flat angles P-C4'-P energy: -49.297 tors. eta vs tors. theta energy: -76.774 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: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -679.928609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.928609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.928609 (E_RNA) where: Base-Base interactions energy: -405.233 where: short stacking energy: -209.556 Base-Backbone interact. energy: -1.658 local terms energy: -273.037489 where: bonds (distance) C4'-P energy: -49.556 bonds (distance) P-C4' energy: -67.922 flat angles C4'-P-C4' energy: -64.475 flat angles P-C4'-P energy: -44.533 tors. eta vs tors. theta energy: -46.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -510.543645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.543645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.543645 (E_RNA) where: Base-Base interactions energy: -282.203 where: short stacking energy: -156.011 Base-Backbone interact. energy: -0.468 local terms energy: -227.872326 where: bonds (distance) C4'-P energy: -64.198 bonds (distance) P-C4' energy: -57.727 flat angles C4'-P-C4' energy: -52.784 flat angles P-C4'-P energy: -35.454 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: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -448.890757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.890757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.890757 (E_RNA) where: Base-Base interactions energy: -245.556 where: short stacking energy: -146.449 Base-Backbone interact. energy: 0.292 local terms energy: -203.626031 where: bonds (distance) C4'-P energy: -46.013 bonds (distance) P-C4' energy: -54.166 flat angles C4'-P-C4' energy: -58.635 flat angles P-C4'-P energy: -25.757 tors. eta vs tors. theta energy: -19.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -300.449634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.449634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.449634 (E_RNA) where: Base-Base interactions energy: -104.621 where: short stacking energy: -80.961 Base-Backbone interact. energy: 0.550 local terms energy: -196.379190 where: bonds (distance) C4'-P energy: -48.007 bonds (distance) P-C4' energy: -69.217 flat angles C4'-P-C4' energy: -43.607 flat angles P-C4'-P energy: -39.369 tors. eta vs tors. theta energy: 3.820 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: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1102.621068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.621068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.621068 (E_RNA) where: Base-Base interactions energy: -730.956 where: short stacking energy: -350.506 Base-Backbone interact. energy: -0.398 local terms energy: -371.267410 where: bonds (distance) C4'-P energy: -64.967 bonds (distance) P-C4' energy: -74.020 flat angles C4'-P-C4' energy: -75.825 flat angles P-C4'-P energy: -61.033 tors. eta vs tors. theta energy: -95.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1040.826613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.826613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.826613 (E_RNA) where: Base-Base interactions energy: -701.152 where: short stacking energy: -330.273 Base-Backbone interact. energy: 1.930 local terms energy: -341.604460 where: bonds (distance) C4'-P energy: -64.190 bonds (distance) P-C4' energy: -73.581 flat angles C4'-P-C4' energy: -65.953 flat angles P-C4'-P energy: -55.599 tors. eta vs tors. theta energy: -82.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1012.076058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.076058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.076058 (E_RNA) where: Base-Base interactions energy: -678.551 where: short stacking energy: -320.788 Base-Backbone interact. energy: -1.579 local terms energy: -331.946188 where: bonds (distance) C4'-P energy: -67.771 bonds (distance) P-C4' energy: -53.303 flat angles C4'-P-C4' energy: -72.523 flat angles P-C4'-P energy: -45.294 tors. eta vs tors. theta energy: -93.054 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: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -915.315531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.315531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.315531 (E_RNA) where: Base-Base interactions energy: -592.944 where: short stacking energy: -286.906 Base-Backbone interact. energy: 3.257 local terms energy: -325.628154 where: bonds (distance) C4'-P energy: -55.634 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -72.548 flat angles P-C4'-P energy: -49.904 tors. eta vs tors. theta energy: -81.228 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: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -903.974992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.974992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.974992 (E_RNA) where: Base-Base interactions energy: -597.648 where: short stacking energy: -252.328 Base-Backbone interact. energy: -1.631 local terms energy: -304.696361 where: bonds (distance) C4'-P energy: -64.951 bonds (distance) P-C4' energy: -61.337 flat angles C4'-P-C4' energy: -56.649 flat angles P-C4'-P energy: -52.804 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: 6, replica: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -812.616752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.616752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.616752 (E_RNA) where: Base-Base interactions energy: -516.590 where: short stacking energy: -237.902 Base-Backbone interact. energy: 2.333 local terms energy: -298.359202 where: bonds (distance) C4'-P energy: -62.785 bonds (distance) P-C4' energy: -60.421 flat angles C4'-P-C4' energy: -64.440 flat angles P-C4'-P energy: -48.815 tors. eta vs tors. theta energy: -61.898 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: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -690.877887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.877887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.877887 (E_RNA) where: Base-Base interactions energy: -441.070 where: short stacking energy: -241.879 Base-Backbone interact. energy: -1.945 local terms energy: -247.863113 where: bonds (distance) C4'-P energy: -48.519 bonds (distance) P-C4' energy: -49.197 flat angles C4'-P-C4' energy: -50.597 flat angles P-C4'-P energy: -49.261 tors. eta vs tors. theta energy: -50.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -500.137427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.137427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.137427 (E_RNA) where: Base-Base interactions energy: -266.726 where: short stacking energy: -153.143 Base-Backbone interact. energy: 1.918 local terms energy: -235.329974 where: bonds (distance) C4'-P energy: -55.041 bonds (distance) P-C4' energy: -51.125 flat angles C4'-P-C4' energy: -59.227 flat angles P-C4'-P energy: -47.872 tors. eta vs tors. theta energy: -22.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -465.940415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.940415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.940415 (E_RNA) where: Base-Base interactions energy: -253.512 where: short stacking energy: -141.616 Base-Backbone interact. energy: -3.155 local terms energy: -209.273456 where: bonds (distance) C4'-P energy: -51.438 bonds (distance) P-C4' energy: -59.109 flat angles C4'-P-C4' energy: -60.706 flat angles P-C4'-P energy: -27.547 tors. eta vs tors. theta energy: -10.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -299.618144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.618144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.618144 (E_RNA) where: Base-Base interactions energy: -130.290 where: short stacking energy: -94.977 Base-Backbone interact. energy: -0.960 local terms energy: -168.367341 where: bonds (distance) C4'-P energy: -58.545 bonds (distance) P-C4' energy: -48.759 flat angles C4'-P-C4' energy: -46.372 flat angles P-C4'-P energy: -22.595 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: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1093.970717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.970717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.970717 (E_RNA) where: Base-Base interactions energy: -719.025 where: short stacking energy: -335.605 Base-Backbone interact. energy: -0.725 local terms energy: -374.221422 where: bonds (distance) C4'-P energy: -68.403 bonds (distance) P-C4' energy: -73.767 flat angles C4'-P-C4' energy: -72.022 flat angles P-C4'-P energy: -58.982 tors. eta vs tors. theta energy: -101.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1068.742418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.742418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.742418 (E_RNA) where: Base-Base interactions energy: -725.346 where: short stacking energy: -335.470 Base-Backbone interact. energy: 2.667 local terms energy: -346.063622 where: bonds (distance) C4'-P energy: -68.782 bonds (distance) P-C4' energy: -66.080 flat angles C4'-P-C4' energy: -72.780 flat angles P-C4'-P energy: -47.206 tors. eta vs tors. theta energy: -91.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1029.035512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.035512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.035512 (E_RNA) where: Base-Base interactions energy: -684.129 where: short stacking energy: -328.630 Base-Backbone interact. energy: -0.656 local terms energy: -344.250394 where: bonds (distance) C4'-P energy: -61.067 bonds (distance) P-C4' energy: -72.368 flat angles C4'-P-C4' energy: -72.724 flat angles P-C4'-P energy: -42.417 tors. eta vs tors. theta energy: -95.674 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: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -965.465795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.465795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.465795 (E_RNA) where: Base-Base interactions energy: -658.495 where: short stacking energy: -303.695 Base-Backbone interact. energy: -1.739 local terms energy: -305.231935 where: bonds (distance) C4'-P energy: -71.837 bonds (distance) P-C4' energy: -55.776 flat angles C4'-P-C4' energy: -59.648 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: -77.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -922.084271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.084271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.084271 (E_RNA) where: Base-Base interactions energy: -611.881 where: short stacking energy: -289.113 Base-Backbone interact. energy: 4.904 local terms energy: -315.107271 where: bonds (distance) C4'-P energy: -52.656 bonds (distance) P-C4' energy: -71.391 flat angles C4'-P-C4' energy: -76.248 flat angles P-C4'-P energy: -37.522 tors. eta vs tors. theta energy: -77.290 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: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -727.336274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.336274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.336274 (E_RNA) where: Base-Base interactions energy: -434.474 where: short stacking energy: -247.996 Base-Backbone interact. energy: -0.846 local terms energy: -292.016085 where: bonds (distance) C4'-P energy: -68.312 bonds (distance) P-C4' energy: -61.262 flat angles C4'-P-C4' energy: -64.101 flat angles P-C4'-P energy: -38.192 tors. eta vs tors. theta energy: -60.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -777.201715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.201715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.201715 (E_RNA) where: Base-Base interactions energy: -512.627 where: short stacking energy: -220.121 Base-Backbone interact. energy: 5.145 local terms energy: -269.719427 where: bonds (distance) C4'-P energy: -67.821 bonds (distance) P-C4' energy: -56.660 flat angles C4'-P-C4' energy: -52.003 flat angles P-C4'-P energy: -42.975 tors. eta vs tors. theta energy: -50.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -533.286968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.286968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.286968 (E_RNA) where: Base-Base interactions energy: -299.645 where: short stacking energy: -155.745 Base-Backbone interact. energy: -2.071 local terms energy: -231.570427 where: bonds (distance) C4'-P energy: -64.804 bonds (distance) P-C4' energy: -56.601 flat angles C4'-P-C4' energy: -53.500 flat angles P-C4'-P energy: -27.635 tors. eta vs tors. theta energy: -29.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -463.553674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.553674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.553674 (E_RNA) where: Base-Base interactions energy: -256.851 where: short stacking energy: -141.021 Base-Backbone interact. energy: 0.160 local terms energy: -206.862962 where: bonds (distance) C4'-P energy: -60.114 bonds (distance) P-C4' energy: -51.422 flat angles C4'-P-C4' energy: -42.338 flat angles P-C4'-P energy: -41.536 tors. eta vs tors. theta energy: -11.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -291.477386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.477386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.477386 (E_RNA) where: Base-Base interactions energy: -104.072 where: short stacking energy: -86.887 Base-Backbone interact. energy: 3.333 local terms energy: -190.738630 where: bonds (distance) C4'-P energy: -50.452 bonds (distance) P-C4' energy: -58.333 flat angles C4'-P-C4' energy: -48.098 flat angles P-C4'-P energy: -33.167 tors. eta vs tors. theta energy: -0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1053.834825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.834825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.834825 (E_RNA) where: Base-Base interactions energy: -702.728 where: short stacking energy: -336.352 Base-Backbone interact. energy: 0.181 local terms energy: -351.287163 where: bonds (distance) C4'-P energy: -57.586 bonds (distance) P-C4' energy: -71.478 flat angles C4'-P-C4' energy: -81.325 flat angles P-C4'-P energy: -59.344 tors. eta vs tors. theta energy: -81.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1069.861163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.861163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.861163 (E_RNA) where: Base-Base interactions energy: -720.311 where: short stacking energy: -328.643 Base-Backbone interact. energy: -1.374 local terms energy: -348.176698 where: bonds (distance) C4'-P energy: -62.983 bonds (distance) P-C4' energy: -70.127 flat angles C4'-P-C4' energy: -66.529 flat angles P-C4'-P energy: -56.071 tors. eta vs tors. theta energy: -92.467 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: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1009.321358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.321358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.321358 (E_RNA) where: Base-Base interactions energy: -667.817 where: short stacking energy: -327.193 Base-Backbone interact. energy: -0.578 local terms energy: -340.925929 where: bonds (distance) C4'-P energy: -73.922 bonds (distance) P-C4' energy: -60.912 flat angles C4'-P-C4' energy: -58.631 flat angles P-C4'-P energy: -51.410 tors. eta vs tors. theta energy: -96.051 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: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -966.913349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.913349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.913349 (E_RNA) where: Base-Base interactions energy: -658.452 where: short stacking energy: -295.843 Base-Backbone interact. energy: -0.078 local terms energy: -308.383741 where: bonds (distance) C4'-P energy: -59.913 bonds (distance) P-C4' energy: -64.505 flat angles C4'-P-C4' energy: -68.173 flat angles P-C4'-P energy: -37.462 tors. eta vs tors. theta energy: -78.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -883.747024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.747024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.747024 (E_RNA) where: Base-Base interactions energy: -560.690 where: short stacking energy: -251.568 Base-Backbone interact. energy: -1.948 local terms energy: -321.108919 where: bonds (distance) C4'-P energy: -67.285 bonds (distance) P-C4' energy: -70.093 flat angles C4'-P-C4' energy: -56.705 flat angles P-C4'-P energy: -53.212 tors. eta vs tors. theta energy: -73.814 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: 142 Temperature: 1.150000 Total energy: -727.664593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.664593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.664593 (E_RNA) where: Base-Base interactions energy: -439.871 where: short stacking energy: -214.350 Base-Backbone interact. energy: -1.596 local terms energy: -286.197489 where: bonds (distance) C4'-P energy: -63.648 bonds (distance) P-C4' energy: -65.116 flat angles C4'-P-C4' energy: -59.063 flat angles P-C4'-P energy: -40.315 tors. eta vs tors. theta energy: -58.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -748.290227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.290227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.290227 (E_RNA) where: Base-Base interactions energy: -478.577 where: short stacking energy: -233.485 Base-Backbone interact. energy: -1.429 local terms energy: -268.284497 where: bonds (distance) C4'-P energy: -53.450 bonds (distance) P-C4' energy: -58.707 flat angles C4'-P-C4' energy: -47.697 flat angles P-C4'-P energy: -47.191 tors. eta vs tors. theta energy: -61.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -569.658272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.658272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.658272 (E_RNA) where: Base-Base interactions energy: -327.791 where: short stacking energy: -173.720 Base-Backbone interact. energy: 0.905 local terms energy: -242.772065 where: bonds (distance) C4'-P energy: -49.193 bonds (distance) P-C4' energy: -65.335 flat angles C4'-P-C4' energy: -62.037 flat angles P-C4'-P energy: -36.825 tors. eta vs tors. theta energy: -29.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -515.785435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.785435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.785435 (E_RNA) where: Base-Base interactions energy: -280.596 where: short stacking energy: -145.189 Base-Backbone interact. energy: 1.913 local terms energy: -237.102197 where: bonds (distance) C4'-P energy: -48.893 bonds (distance) P-C4' energy: -69.660 flat angles C4'-P-C4' energy: -56.983 flat angles P-C4'-P energy: -47.713 tors. eta vs tors. theta energy: -13.854 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: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -305.748839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.748839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.748839 (E_RNA) where: Base-Base interactions energy: -120.197 where: short stacking energy: -100.552 Base-Backbone interact. energy: 3.858 local terms energy: -189.409649 where: bonds (distance) C4'-P energy: -55.273 bonds (distance) P-C4' energy: -49.172 flat angles C4'-P-C4' energy: -50.036 flat angles P-C4'-P energy: -23.854 tors. eta vs tors. theta energy: -11.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1086.833132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.833132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.833132 (E_RNA) where: Base-Base interactions energy: -733.794 where: short stacking energy: -322.023 Base-Backbone interact. energy: -0.697 local terms energy: -352.342060 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -73.671 flat angles C4'-P-C4' energy: -81.649 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -84.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1060.098930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.098930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.098930 (E_RNA) where: Base-Base interactions energy: -698.544 where: short stacking energy: -333.484 Base-Backbone interact. energy: -1.458 local terms energy: -360.096226 where: bonds (distance) C4'-P energy: -69.935 bonds (distance) P-C4' energy: -70.477 flat angles C4'-P-C4' energy: -77.377 flat angles P-C4'-P energy: -47.018 tors. eta vs tors. theta energy: -95.288 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: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -982.789049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.789049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.789049 (E_RNA) where: Base-Base interactions energy: -631.994 where: short stacking energy: -292.607 Base-Backbone interact. energy: 0.226 local terms energy: -351.020483 where: bonds (distance) C4'-P energy: -72.934 bonds (distance) P-C4' energy: -78.921 flat angles C4'-P-C4' energy: -73.607 flat angles P-C4'-P energy: -43.527 tors. eta vs tors. theta energy: -82.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -972.556001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.556001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.556001 (E_RNA) where: Base-Base interactions energy: -639.237 where: short stacking energy: -298.212 Base-Backbone interact. energy: -0.831 local terms energy: -332.488305 where: bonds (distance) C4'-P energy: -61.731 bonds (distance) P-C4' energy: -58.089 flat angles C4'-P-C4' energy: -79.741 flat angles P-C4'-P energy: -50.572 tors. eta vs tors. theta energy: -82.355 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: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -895.256699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.256699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.256699 (E_RNA) where: Base-Base interactions energy: -577.602 where: short stacking energy: -275.905 Base-Backbone interact. energy: -2.264 local terms energy: -315.390610 where: bonds (distance) C4'-P energy: -49.380 bonds (distance) P-C4' energy: -64.638 flat angles C4'-P-C4' energy: -73.115 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -68.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -726.983145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.983145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.983145 (E_RNA) where: Base-Base interactions energy: -426.994 where: short stacking energy: -221.869 Base-Backbone interact. energy: 0.422 local terms energy: -300.410897 where: bonds (distance) C4'-P energy: -53.527 bonds (distance) P-C4' energy: -73.531 flat angles C4'-P-C4' energy: -72.450 flat angles P-C4'-P energy: -47.678 tors. eta vs tors. theta energy: -53.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -751.064664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.064664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.064664 (E_RNA) where: Base-Base interactions energy: -472.763 where: short stacking energy: -221.269 Base-Backbone interact. energy: -1.691 local terms energy: -276.610956 where: bonds (distance) C4'-P energy: -67.391 bonds (distance) P-C4' energy: -51.905 flat angles C4'-P-C4' energy: -76.765 flat angles P-C4'-P energy: -26.053 tors. eta vs tors. theta energy: -54.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -575.082385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.082385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.082385 (E_RNA) where: Base-Base interactions energy: -320.923 where: short stacking energy: -166.929 Base-Backbone interact. energy: -1.139 local terms energy: -253.019774 where: bonds (distance) C4'-P energy: -56.575 bonds (distance) P-C4' energy: -67.905 flat angles C4'-P-C4' energy: -54.574 flat angles P-C4'-P energy: -40.873 tors. eta vs tors. theta energy: -33.092 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: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -521.269601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.269601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.269601 (E_RNA) where: Base-Base interactions energy: -274.797 where: short stacking energy: -160.531 Base-Backbone interact. energy: 1.464 local terms energy: -247.936657 where: bonds (distance) C4'-P energy: -67.960 bonds (distance) P-C4' energy: -57.147 flat angles C4'-P-C4' energy: -47.257 flat angles P-C4'-P energy: -38.225 tors. eta vs tors. theta energy: -37.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -288.532621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.532621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.532621 (E_RNA) where: Base-Base interactions energy: -96.061 where: short stacking energy: -85.437 Base-Backbone interact. energy: 2.037 local terms energy: -194.509191 where: bonds (distance) C4'-P energy: -61.474 bonds (distance) P-C4' energy: -59.407 flat angles C4'-P-C4' energy: -49.883 flat angles P-C4'-P energy: -21.240 tors. eta vs tors. theta energy: -2.506 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: 1, replica: 9 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1092.016922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.016922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.016922 (E_RNA) where: Base-Base interactions energy: -725.889 where: short stacking energy: -338.108 Base-Backbone interact. energy: -1.112 local terms energy: -365.016154 where: bonds (distance) C4'-P energy: -73.284 bonds (distance) P-C4' energy: -80.915 flat angles C4'-P-C4' energy: -63.866 flat angles P-C4'-P energy: -48.349 tors. eta vs tors. theta energy: -98.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1090.115689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.115689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.115689 (E_RNA) where: Base-Base interactions energy: -717.061 where: short stacking energy: -351.526 Base-Backbone interact. energy: 1.010 local terms energy: -374.065002 where: bonds (distance) C4'-P energy: -74.107 bonds (distance) P-C4' energy: -67.492 flat angles C4'-P-C4' energy: -78.948 flat angles P-C4'-P energy: -49.454 tors. eta vs tors. theta energy: -104.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1005.646716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.646716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.646716 (E_RNA) where: Base-Base interactions energy: -675.599 where: short stacking energy: -311.057 Base-Backbone interact. energy: -1.564 local terms energy: -328.482985 where: bonds (distance) C4'-P energy: -75.104 bonds (distance) P-C4' energy: -58.763 flat angles C4'-P-C4' energy: -68.968 flat angles P-C4'-P energy: -44.110 tors. eta vs tors. theta energy: -81.539 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: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -939.383330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.383330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.383330 (E_RNA) where: Base-Base interactions energy: -623.467 where: short stacking energy: -278.575 Base-Backbone interact. energy: -0.742 local terms energy: -315.174217 where: bonds (distance) C4'-P energy: -62.831 bonds (distance) P-C4' energy: -67.329 flat angles C4'-P-C4' energy: -64.046 flat angles P-C4'-P energy: -37.091 tors. eta vs tors. theta energy: -83.879 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: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -870.987909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.987909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.987909 (E_RNA) where: Base-Base interactions energy: -570.047 where: short stacking energy: -274.224 Base-Backbone interact. energy: -1.649 local terms energy: -299.292527 where: bonds (distance) C4'-P energy: -60.983 bonds (distance) P-C4' energy: -61.229 flat angles C4'-P-C4' energy: -56.754 flat angles P-C4'-P energy: -46.731 tors. eta vs tors. theta energy: -73.596 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: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -740.960105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.960105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.960105 (E_RNA) where: Base-Base interactions energy: -460.863 where: short stacking energy: -239.081 Base-Backbone interact. energy: 0.179 local terms energy: -280.275231 where: bonds (distance) C4'-P energy: -52.776 bonds (distance) P-C4' energy: -55.157 flat angles C4'-P-C4' energy: -73.085 flat angles P-C4'-P energy: -42.095 tors. eta vs tors. theta energy: -57.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -779.644707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.644707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.644707 (E_RNA) where: Base-Base interactions energy: -493.070 where: short stacking energy: -229.830 Base-Backbone interact. energy: 1.742 local terms energy: -288.316072 where: bonds (distance) C4'-P energy: -61.288 bonds (distance) P-C4' energy: -65.085 flat angles C4'-P-C4' energy: -58.973 flat angles P-C4'-P energy: -43.675 tors. eta vs tors. theta energy: -59.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -579.086381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.086381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.086381 (E_RNA) where: Base-Base interactions energy: -315.434 where: short stacking energy: -177.993 Base-Backbone interact. energy: -0.532 local terms energy: -263.119742 where: bonds (distance) C4'-P energy: -47.756 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -66.974 flat angles P-C4'-P energy: -49.279 tors. eta vs tors. theta energy: -39.531 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: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -464.310203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.310203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.310203 (E_RNA) where: Base-Base interactions energy: -255.755 where: short stacking energy: -154.033 Base-Backbone interact. energy: -1.549 local terms energy: -207.006718 where: bonds (distance) C4'-P energy: -55.915 bonds (distance) P-C4' energy: -59.160 flat angles C4'-P-C4' energy: -45.122 flat angles P-C4'-P energy: -34.831 tors. eta vs tors. theta energy: -11.979 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: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -286.474845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.474845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.474845 (E_RNA) where: Base-Base interactions energy: -97.599 where: short stacking energy: -92.674 Base-Backbone interact. energy: -0.660 local terms energy: -188.215842 where: bonds (distance) C4'-P energy: -49.278 bonds (distance) P-C4' energy: -54.279 flat angles C4'-P-C4' energy: -53.068 flat angles P-C4'-P energy: -29.425 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1088.267721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.267721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.267721 (E_RNA) where: Base-Base interactions energy: -737.616 where: short stacking energy: -332.894 Base-Backbone interact. energy: -1.446 local terms energy: -349.206085 where: bonds (distance) C4'-P energy: -67.709 bonds (distance) P-C4' energy: -67.956 flat angles C4'-P-C4' energy: -73.845 flat angles P-C4'-P energy: -54.881 tors. eta vs tors. theta energy: -84.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1070.510008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.510008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.510008 (E_RNA) where: Base-Base interactions energy: -705.133 where: short stacking energy: -330.800 Base-Backbone interact. energy: -0.744 local terms energy: -364.633008 where: bonds (distance) C4'-P energy: -64.468 bonds (distance) P-C4' energy: -68.135 flat angles C4'-P-C4' energy: -79.376 flat angles P-C4'-P energy: -55.233 tors. eta vs tors. theta energy: -97.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1001.526117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.526117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.526117 (E_RNA) where: Base-Base interactions energy: -661.678 where: short stacking energy: -283.466 Base-Backbone interact. energy: -1.873 local terms energy: -337.975287 where: bonds (distance) C4'-P energy: -73.856 bonds (distance) P-C4' energy: -61.406 flat angles C4'-P-C4' energy: -74.127 flat angles P-C4'-P energy: -53.619 tors. eta vs tors. theta energy: -74.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -891.943226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.943226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.943226 (E_RNA) where: Base-Base interactions energy: -594.834 where: short stacking energy: -284.999 Base-Backbone interact. energy: -1.926 local terms energy: -295.182362 where: bonds (distance) C4'-P energy: -65.997 bonds (distance) P-C4' energy: -62.209 flat angles C4'-P-C4' energy: -59.734 flat angles P-C4'-P energy: -36.546 tors. eta vs tors. theta energy: -70.696 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: -853.199960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.199960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.199960 (E_RNA) where: Base-Base interactions energy: -547.308 where: short stacking energy: -255.972 Base-Backbone interact. energy: 3.121 local terms energy: -309.012882 where: bonds (distance) C4'-P energy: -52.839 bonds (distance) P-C4' energy: -72.665 flat angles C4'-P-C4' energy: -74.167 flat angles P-C4'-P energy: -42.684 tors. eta vs tors. theta energy: -66.658 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: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -809.578922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.578922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.578922 (E_RNA) where: Base-Base interactions energy: -492.994 where: short stacking energy: -250.413 Base-Backbone interact. energy: -2.772 local terms energy: -313.813783 where: bonds (distance) C4'-P energy: -57.902 bonds (distance) P-C4' energy: -67.354 flat angles C4'-P-C4' energy: -72.474 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -67.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -670.932880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.932880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.932880 (E_RNA) where: Base-Base interactions energy: -395.309 where: short stacking energy: -194.095 Base-Backbone interact. energy: -1.257 local terms energy: -274.366773 where: bonds (distance) C4'-P energy: -72.632 bonds (distance) P-C4' energy: -54.981 flat angles C4'-P-C4' energy: -65.776 flat angles P-C4'-P energy: -42.527 tors. eta vs tors. theta energy: -38.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -566.214440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.214440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.214440 (E_RNA) where: Base-Base interactions energy: -309.563 where: short stacking energy: -161.578 Base-Backbone interact. energy: 0.721 local terms energy: -257.372736 where: bonds (distance) C4'-P energy: -68.255 bonds (distance) P-C4' energy: -69.190 flat angles C4'-P-C4' energy: -56.498 flat angles P-C4'-P energy: -35.936 tors. eta vs tors. theta energy: -27.494 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: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -444.461001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.461001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.461001 (E_RNA) where: Base-Base interactions energy: -229.879 where: short stacking energy: -146.687 Base-Backbone interact. energy: 2.106 local terms energy: -216.688618 where: bonds (distance) C4'-P energy: -52.235 bonds (distance) P-C4' energy: -53.565 flat angles C4'-P-C4' energy: -61.619 flat angles P-C4'-P energy: -30.431 tors. eta vs tors. theta energy: -18.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -292.513430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.513430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.513430 (E_RNA) where: Base-Base interactions energy: -106.425 where: short stacking energy: -97.856 Base-Backbone interact. energy: 0.077 local terms energy: -186.165857 where: bonds (distance) C4'-P energy: -59.398 bonds (distance) P-C4' energy: -55.267 flat angles C4'-P-C4' energy: -53.219 flat angles P-C4'-P energy: -29.463 tors. eta vs tors. theta energy: 11.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1065.008285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.008285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.008285 (E_RNA) where: Base-Base interactions energy: -706.913 where: short stacking energy: -332.053 Base-Backbone interact. energy: -2.142 local terms energy: -355.953212 where: bonds (distance) C4'-P energy: -68.703 bonds (distance) P-C4' energy: -72.592 flat angles C4'-P-C4' energy: -75.513 flat angles P-C4'-P energy: -54.541 tors. eta vs tors. theta energy: -84.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1072.277646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.277646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.277646 (E_RNA) where: Base-Base interactions energy: -711.515 where: short stacking energy: -318.072 Base-Backbone interact. energy: 0.656 local terms energy: -361.418424 where: bonds (distance) C4'-P energy: -62.049 bonds (distance) P-C4' energy: -74.166 flat angles C4'-P-C4' energy: -71.224 flat angles P-C4'-P energy: -52.671 tors. eta vs tors. theta energy: -101.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -987.980284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.980284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.980284 (E_RNA) where: Base-Base interactions energy: -674.166 where: short stacking energy: -297.451 Base-Backbone interact. energy: -3.053 local terms energy: -310.761417 where: bonds (distance) C4'-P energy: -61.177 bonds (distance) P-C4' energy: -61.776 flat angles C4'-P-C4' energy: -75.270 flat angles P-C4'-P energy: -44.134 tors. eta vs tors. theta energy: -68.405 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: 4, replica: 8 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -883.382364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.382364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.382364 (E_RNA) where: Base-Base interactions energy: -571.453 where: short stacking energy: -268.233 Base-Backbone interact. energy: 2.533 local terms energy: -314.461993 where: bonds (distance) C4'-P energy: -58.326 bonds (distance) P-C4' energy: -73.086 flat angles C4'-P-C4' energy: -75.711 flat angles P-C4'-P energy: -46.968 tors. eta vs tors. theta energy: -60.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -845.032106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.032106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.032106 (E_RNA) where: Base-Base interactions energy: -556.830 where: short stacking energy: -244.080 Base-Backbone interact. energy: 1.218 local terms energy: -289.420016 where: bonds (distance) C4'-P energy: -64.544 bonds (distance) P-C4' energy: -67.919 flat angles C4'-P-C4' energy: -52.799 flat angles P-C4'-P energy: -44.632 tors. eta vs tors. theta energy: -59.525 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: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -808.746992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.746992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.746992 (E_RNA) where: Base-Base interactions energy: -510.125 where: short stacking energy: -247.476 Base-Backbone interact. energy: -1.170 local terms energy: -297.451678 where: bonds (distance) C4'-P energy: -69.201 bonds (distance) P-C4' energy: -50.182 flat angles C4'-P-C4' energy: -61.784 flat angles P-C4'-P energy: -50.373 tors. eta vs tors. theta energy: -65.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -657.115158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.115158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.115158 (E_RNA) where: Base-Base interactions energy: -401.396 where: short stacking energy: -207.460 Base-Backbone interact. energy: 0.093 local terms energy: -255.811967 where: bonds (distance) C4'-P energy: -62.032 bonds (distance) P-C4' energy: -65.957 flat angles C4'-P-C4' energy: -53.888 flat angles P-C4'-P energy: -31.369 tors. eta vs tors. theta energy: -42.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -552.478627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.478627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.478627 (E_RNA) where: Base-Base interactions energy: -322.579 where: short stacking energy: -167.355 Base-Backbone interact. energy: 1.058 local terms energy: -230.956866 where: bonds (distance) C4'-P energy: -54.424 bonds (distance) P-C4' energy: -51.095 flat angles C4'-P-C4' energy: -52.250 flat angles P-C4'-P energy: -39.228 tors. eta vs tors. theta energy: -33.961 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: 146 Temperature: 1.300000 Total energy: -462.741688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.741688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.741688 (E_RNA) where: Base-Base interactions energy: -257.755 where: short stacking energy: -157.642 Base-Backbone interact. energy: -0.852 local terms energy: -204.134565 where: bonds (distance) C4'-P energy: -54.533 bonds (distance) P-C4' energy: -50.725 flat angles C4'-P-C4' energy: -43.770 flat angles P-C4'-P energy: -38.911 tors. eta vs tors. theta energy: -16.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -317.933868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.933868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.933868 (E_RNA) where: Base-Base interactions energy: -127.900 where: short stacking energy: -108.780 Base-Backbone interact. energy: -0.180 local terms energy: -189.853476 where: bonds (distance) C4'-P energy: -54.318 bonds (distance) P-C4' energy: -52.508 flat angles C4'-P-C4' energy: -58.233 flat angles P-C4'-P energy: -28.971 tors. eta vs tors. theta energy: 4.176 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: 1, replica: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1073.909159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.909159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.909159 (E_RNA) where: Base-Base interactions energy: -708.018 where: short stacking energy: -339.463 Base-Backbone interact. energy: -1.943 local terms energy: -363.947920 where: bonds (distance) C4'-P energy: -70.820 bonds (distance) P-C4' energy: -68.944 flat angles C4'-P-C4' energy: -75.024 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: -96.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1036.013585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.013585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.013585 (E_RNA) where: Base-Base interactions energy: -702.064 where: short stacking energy: -312.664 Base-Backbone interact. energy: 1.538 local terms energy: -335.487610 where: bonds (distance) C4'-P energy: -66.730 bonds (distance) P-C4' energy: -73.853 flat angles C4'-P-C4' energy: -63.290 flat angles P-C4'-P energy: -45.555 tors. eta vs tors. theta energy: -86.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1036.742112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.742112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.742112 (E_RNA) where: Base-Base interactions energy: -696.864 where: short stacking energy: -303.055 Base-Backbone interact. energy: -2.011 local terms energy: -337.866944 where: bonds (distance) C4'-P energy: -68.330 bonds (distance) P-C4' energy: -66.556 flat angles C4'-P-C4' energy: -73.739 flat angles P-C4'-P energy: -47.799 tors. eta vs tors. theta energy: -81.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -916.022153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.022153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.022153 (E_RNA) where: Base-Base interactions energy: -598.295 where: short stacking energy: -254.921 Base-Backbone interact. energy: 0.352 local terms energy: -318.078567 where: bonds (distance) C4'-P energy: -69.759 bonds (distance) P-C4' energy: -63.847 flat angles C4'-P-C4' energy: -74.590 flat angles P-C4'-P energy: -38.475 tors. eta vs tors. theta energy: -71.408 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: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -863.918897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.918897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.918897 (E_RNA) where: Base-Base interactions energy: -559.911 where: short stacking energy: -263.005 Base-Backbone interact. energy: 2.530 local terms energy: -306.537912 where: bonds (distance) C4'-P energy: -56.427 bonds (distance) P-C4' energy: -69.829 flat angles C4'-P-C4' energy: -65.382 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -66.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -766.475149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.475149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.475149 (E_RNA) where: Base-Base interactions energy: -495.311 where: short stacking energy: -226.435 Base-Backbone interact. energy: 1.843 local terms energy: -273.007087 where: bonds (distance) C4'-P energy: -64.215 bonds (distance) P-C4' energy: -58.290 flat angles C4'-P-C4' energy: -71.195 flat angles P-C4'-P energy: -42.230 tors. eta vs tors. theta energy: -37.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -661.181190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.181190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.181190 (E_RNA) where: Base-Base interactions energy: -412.497 where: short stacking energy: -212.173 Base-Backbone interact. energy: 1.199 local terms energy: -249.883170 where: bonds (distance) C4'-P energy: -51.971 bonds (distance) P-C4' energy: -61.552 flat angles C4'-P-C4' energy: -61.115 flat angles P-C4'-P energy: -41.307 tors. eta vs tors. theta energy: -33.939 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: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -603.933510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.933510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.933510 (E_RNA) where: Base-Base interactions energy: -364.896 where: short stacking energy: -196.531 Base-Backbone interact. energy: -0.344 local terms energy: -238.693563 where: bonds (distance) C4'-P energy: -51.647 bonds (distance) P-C4' energy: -66.660 flat angles C4'-P-C4' energy: -57.906 flat angles P-C4'-P energy: -29.804 tors. eta vs tors. theta energy: -32.677 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: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -446.081419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.081419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.081419 (E_RNA) where: Base-Base interactions energy: -263.029 where: short stacking energy: -162.285 Base-Backbone interact. energy: 3.213 local terms energy: -186.265595 where: bonds (distance) C4'-P energy: -46.893 bonds (distance) P-C4' energy: -47.998 flat angles C4'-P-C4' energy: -43.983 flat angles P-C4'-P energy: -29.217 tors. eta vs tors. theta energy: -18.175 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: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -299.293227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.293227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.293227 (E_RNA) where: Base-Base interactions energy: -93.846 where: short stacking energy: -84.836 Base-Backbone interact. energy: -0.596 local terms energy: -204.851586 where: bonds (distance) C4'-P energy: -56.480 bonds (distance) P-C4' energy: -58.183 flat angles C4'-P-C4' energy: -59.417 flat angles P-C4'-P energy: -33.344 tors. eta vs tors. theta energy: 2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1063.994901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.994901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.994901 (E_RNA) where: Base-Base interactions energy: -707.231 where: short stacking energy: -331.355 Base-Backbone interact. energy: -1.628 local terms energy: -355.135447 where: bonds (distance) C4'-P energy: -68.207 bonds (distance) P-C4' energy: -60.940 flat angles C4'-P-C4' energy: -72.697 flat angles P-C4'-P energy: -58.662 tors. eta vs tors. theta energy: -94.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1051.384848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.384848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.384848 (E_RNA) where: Base-Base interactions energy: -705.376 where: short stacking energy: -301.040 Base-Backbone interact. energy: -1.874 local terms energy: -344.134452 where: bonds (distance) C4'-P energy: -69.736 bonds (distance) P-C4' energy: -64.808 flat angles C4'-P-C4' energy: -74.582 flat angles P-C4'-P energy: -50.806 tors. eta vs tors. theta energy: -84.202 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: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1017.105615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.105615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.105615 (E_RNA) where: Base-Base interactions energy: -679.546 where: short stacking energy: -313.063 Base-Backbone interact. energy: -1.244 local terms energy: -336.315812 where: bonds (distance) C4'-P energy: -59.882 bonds (distance) P-C4' energy: -63.586 flat angles C4'-P-C4' energy: -68.829 flat angles P-C4'-P energy: -55.748 tors. eta vs tors. theta energy: -88.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -921.081311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.081311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.081311 (E_RNA) where: Base-Base interactions energy: -600.935 where: short stacking energy: -289.135 Base-Backbone interact. energy: 1.021 local terms energy: -321.166998 where: bonds (distance) C4'-P energy: -69.500 bonds (distance) P-C4' energy: -58.023 flat angles C4'-P-C4' energy: -73.694 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -75.947 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: 148 Temperature: 1.100000 Total energy: -863.875790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.875790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.875790 (E_RNA) where: Base-Base interactions energy: -562.488 where: short stacking energy: -260.076 Base-Backbone interact. energy: 0.630 local terms energy: -302.017775 where: bonds (distance) C4'-P energy: -59.029 bonds (distance) P-C4' energy: -54.132 flat angles C4'-P-C4' energy: -79.683 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -65.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -824.561814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.561814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.561814 (E_RNA) where: Base-Base interactions energy: -527.045 where: short stacking energy: -257.266 Base-Backbone interact. energy: -1.180 local terms energy: -296.336815 where: bonds (distance) C4'-P energy: -60.210 bonds (distance) P-C4' energy: -56.516 flat angles C4'-P-C4' energy: -71.427 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -70.700 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: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -702.744902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.744902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.744902 (E_RNA) where: Base-Base interactions energy: -444.116 where: short stacking energy: -218.491 Base-Backbone interact. energy: 0.677 local terms energy: -259.305361 where: bonds (distance) C4'-P energy: -58.242 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -66.819 flat angles P-C4'-P energy: -30.823 tors. eta vs tors. theta energy: -42.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -613.408095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.408095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.408095 (E_RNA) where: Base-Base interactions energy: -371.395 where: short stacking energy: -171.457 Base-Backbone interact. energy: -0.169 local terms energy: -241.844626 where: bonds (distance) C4'-P energy: -55.530 bonds (distance) P-C4' energy: -63.994 flat angles C4'-P-C4' energy: -51.149 flat angles P-C4'-P energy: -42.665 tors. eta vs tors. theta energy: -28.506 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: 148 Temperature: 1.300000 Total energy: -471.900732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.900732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.900732 (E_RNA) where: Base-Base interactions energy: -258.549 where: short stacking energy: -143.384 Base-Backbone interact. energy: 1.611 local terms energy: -214.962213 where: bonds (distance) C4'-P energy: -47.456 bonds (distance) P-C4' energy: -63.154 flat angles C4'-P-C4' energy: -47.997 flat angles P-C4'-P energy: -35.345 tors. eta vs tors. theta energy: -21.010 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: 148 Temperature: 1.350000 Total energy: -296.228071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.228071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.228071 (E_RNA) where: Base-Base interactions energy: -108.562 where: short stacking energy: -83.028 Base-Backbone interact. energy: -1.331 local terms energy: -186.335191 where: bonds (distance) C4'-P energy: -59.290 bonds (distance) P-C4' energy: -54.868 flat angles C4'-P-C4' energy: -44.488 flat angles P-C4'-P energy: -27.908 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: 4 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1085.031036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.031036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.031036 (E_RNA) where: Base-Base interactions energy: -728.725 where: short stacking energy: -343.987 Base-Backbone interact. energy: 1.010 local terms energy: -357.315895 where: bonds (distance) C4'-P energy: -69.344 bonds (distance) P-C4' energy: -69.466 flat angles C4'-P-C4' energy: -70.694 flat angles P-C4'-P energy: -50.418 tors. eta vs tors. theta energy: -97.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1081.467485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.467485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.467485 (E_RNA) where: Base-Base interactions energy: -727.025 where: short stacking energy: -332.207 Base-Backbone interact. energy: -1.418 local terms energy: -353.025257 where: bonds (distance) C4'-P energy: -69.351 bonds (distance) P-C4' energy: -67.473 flat angles C4'-P-C4' energy: -83.903 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -85.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1012.758967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.758967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.758967 (E_RNA) where: Base-Base interactions energy: -676.825 where: short stacking energy: -323.265 Base-Backbone interact. energy: -2.561 local terms energy: -333.372197 where: bonds (distance) C4'-P energy: -60.767 bonds (distance) P-C4' energy: -65.933 flat angles C4'-P-C4' energy: -73.234 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -84.801 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: 149 Temperature: 1.050000 Total energy: -921.634625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.634625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.634625 (E_RNA) where: Base-Base interactions energy: -595.256 where: short stacking energy: -289.219 Base-Backbone interact. energy: -0.975 local terms energy: -325.403764 where: bonds (distance) C4'-P energy: -59.455 bonds (distance) P-C4' energy: -67.529 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -43.991 tors. eta vs tors. theta energy: -84.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -839.517448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.517448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.517448 (E_RNA) where: Base-Base interactions energy: -529.033 where: short stacking energy: -252.159 Base-Backbone interact. energy: -0.582 local terms energy: -309.902811 where: bonds (distance) C4'-P energy: -66.471 bonds (distance) P-C4' energy: -63.316 flat angles C4'-P-C4' energy: -70.547 flat angles P-C4'-P energy: -49.308 tors. eta vs tors. theta energy: -60.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -780.666775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.666775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.666775 (E_RNA) where: Base-Base interactions energy: -508.371 where: short stacking energy: -240.389 Base-Backbone interact. energy: 0.498 local terms energy: -272.793590 where: bonds (distance) C4'-P energy: -63.635 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -57.217 flat angles P-C4'-P energy: -34.495 tors. eta vs tors. theta energy: -58.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -667.373728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.373728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.373728 (E_RNA) where: Base-Base interactions energy: -437.899 where: short stacking energy: -191.949 Base-Backbone interact. energy: 1.172 local terms energy: -230.646764 where: bonds (distance) C4'-P energy: -58.917 bonds (distance) P-C4' energy: -56.519 flat angles C4'-P-C4' energy: -45.825 flat angles P-C4'-P energy: -34.323 tors. eta vs tors. theta energy: -35.063 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: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -489.544715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.544715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.544715 (E_RNA) where: Base-Base interactions energy: -258.469 where: short stacking energy: -129.541 Base-Backbone interact. energy: 2.725 local terms energy: -233.800868 where: bonds (distance) C4'-P energy: -57.043 bonds (distance) P-C4' energy: -70.816 flat angles C4'-P-C4' energy: -60.012 flat angles P-C4'-P energy: -27.470 tors. eta vs tors. theta energy: -18.460 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: 9, replica: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -536.833180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.833180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.833180 (E_RNA) where: Base-Base interactions energy: -299.536 where: short stacking energy: -168.048 Base-Backbone interact. energy: -1.186 local terms energy: -236.110901 where: bonds (distance) C4'-P energy: -54.921 bonds (distance) P-C4' energy: -58.234 flat angles C4'-P-C4' energy: -64.963 flat angles P-C4'-P energy: -27.901 tors. eta vs tors. theta energy: -30.092 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: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -283.488768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.488768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.488768 (E_RNA) where: Base-Base interactions energy: -84.722 where: short stacking energy: -70.965 Base-Backbone interact. energy: 1.478 local terms energy: -200.244195 where: bonds (distance) C4'-P energy: -62.629 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -49.448 flat angles P-C4'-P energy: -32.156 tors. eta vs tors. theta energy: 6.919 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: 4 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1079.989862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.989862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.989862 (E_RNA) where: Base-Base interactions energy: -719.245 where: short stacking energy: -335.866 Base-Backbone interact. energy: -0.281 local terms energy: -360.464206 where: bonds (distance) C4'-P energy: -54.096 bonds (distance) P-C4' energy: -69.222 flat angles C4'-P-C4' energy: -85.904 flat angles P-C4'-P energy: -50.777 tors. eta vs tors. theta energy: -100.465 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: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1065.199304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.199304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.199304 (E_RNA) where: Base-Base interactions energy: -720.174 where: short stacking energy: -326.873 Base-Backbone interact. energy: -0.735 local terms energy: -344.290496 where: bonds (distance) C4'-P energy: -70.944 bonds (distance) P-C4' energy: -63.064 flat angles C4'-P-C4' energy: -68.268 flat angles P-C4'-P energy: -51.799 tors. eta vs tors. theta energy: -90.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1015.876049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.876049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.876049 (E_RNA) where: Base-Base interactions energy: -680.812 where: short stacking energy: -316.081 Base-Backbone interact. energy: -3.694 local terms energy: -331.369427 where: bonds (distance) C4'-P energy: -61.109 bonds (distance) P-C4' energy: -56.184 flat angles C4'-P-C4' energy: -74.573 flat angles P-C4'-P energy: -55.396 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: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -954.171440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.171440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.171440 (E_RNA) where: Base-Base interactions energy: -623.795 where: short stacking energy: -290.564 Base-Backbone interact. energy: -0.855 local terms energy: -329.521059 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -67.683 flat angles C4'-P-C4' energy: -68.926 flat angles P-C4'-P energy: -49.601 tors. eta vs tors. theta energy: -76.621 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: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -865.451039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.451039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.451039 (E_RNA) where: Base-Base interactions energy: -548.010 where: short stacking energy: -264.263 Base-Backbone interact. energy: -2.504 local terms energy: -314.936846 where: bonds (distance) C4'-P energy: -63.526 bonds (distance) P-C4' energy: -68.458 flat angles C4'-P-C4' energy: -72.093 flat angles P-C4'-P energy: -48.383 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: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -783.625178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.625178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.625178 (E_RNA) where: Base-Base interactions energy: -508.093 where: short stacking energy: -227.449 Base-Backbone interact. energy: 1.059 local terms energy: -276.591116 where: bonds (distance) C4'-P energy: -66.945 bonds (distance) P-C4' energy: -62.710 flat angles C4'-P-C4' energy: -47.007 flat angles P-C4'-P energy: -40.945 tors. eta vs tors. theta energy: -58.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -658.111020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.111020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.111020 (E_RNA) where: Base-Base interactions energy: -394.309 where: short stacking energy: -196.593 Base-Backbone interact. energy: -1.210 local terms energy: -262.591502 where: bonds (distance) C4'-P energy: -65.189 bonds (distance) P-C4' energy: -59.018 flat angles C4'-P-C4' energy: -58.608 flat angles P-C4'-P energy: -36.335 tors. eta vs tors. theta energy: -43.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -497.001424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.001424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.001424 (E_RNA) where: Base-Base interactions energy: -265.554 where: short stacking energy: -159.473 Base-Backbone interact. energy: -1.480 local terms energy: -229.967172 where: bonds (distance) C4'-P energy: -57.761 bonds (distance) P-C4' energy: -64.758 flat angles C4'-P-C4' energy: -56.689 flat angles P-C4'-P energy: -36.925 tors. eta vs tors. theta energy: -13.835 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: 6 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -558.732572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.732572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.732572 (E_RNA) where: Base-Base interactions energy: -332.147 where: short stacking energy: -171.958 Base-Backbone interact. energy: 5.941 local terms energy: -232.526143 where: bonds (distance) C4'-P energy: -49.890 bonds (distance) P-C4' energy: -64.355 flat angles C4'-P-C4' energy: -40.834 flat angles P-C4'-P energy: -38.426 tors. eta vs tors. theta energy: -39.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -293.548060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.548060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.548060 (E_RNA) where: Base-Base interactions energy: -105.858 where: short stacking energy: -92.472 Base-Backbone interact. energy: 2.501 local terms energy: -190.190516 where: bonds (distance) C4'-P energy: -54.569 bonds (distance) P-C4' energy: -51.376 flat angles C4'-P-C4' energy: -52.173 flat angles P-C4'-P energy: -29.634 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1063.077954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.077954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.077954 (E_RNA) where: Base-Base interactions energy: -705.246 where: short stacking energy: -341.198 Base-Backbone interact. energy: -2.037 local terms energy: -355.795310 where: bonds (distance) C4'-P energy: -68.097 bonds (distance) P-C4' energy: -70.785 flat angles C4'-P-C4' energy: -83.502 flat angles P-C4'-P energy: -45.476 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: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1036.294169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.294169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.294169 (E_RNA) where: Base-Base interactions energy: -690.171 where: short stacking energy: -323.266 Base-Backbone interact. energy: 0.185 local terms energy: -346.308568 where: bonds (distance) C4'-P energy: -70.061 bonds (distance) P-C4' energy: -64.585 flat angles C4'-P-C4' energy: -75.793 flat angles P-C4'-P energy: -45.480 tors. eta vs tors. theta energy: -90.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1035.638917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.638917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.638917 (E_RNA) where: Base-Base interactions energy: -703.362 where: short stacking energy: -306.027 Base-Backbone interact. energy: -1.082 local terms energy: -331.194843 where: bonds (distance) C4'-P energy: -63.177 bonds (distance) P-C4' energy: -64.723 flat angles C4'-P-C4' energy: -77.792 flat angles P-C4'-P energy: -44.771 tors. eta vs tors. theta energy: -80.731 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: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -872.418232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.418232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.418232 (E_RNA) where: Base-Base interactions energy: -589.093 where: short stacking energy: -267.262 Base-Backbone interact. energy: -1.320 local terms energy: -282.005357 where: bonds (distance) C4'-P energy: -56.522 bonds (distance) P-C4' energy: -58.247 flat angles C4'-P-C4' energy: -68.210 flat angles P-C4'-P energy: -33.374 tors. eta vs tors. theta energy: -65.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -914.412699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.412699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.412699 (E_RNA) where: Base-Base interactions energy: -588.522 where: short stacking energy: -265.072 Base-Backbone interact. energy: -1.394 local terms energy: -324.495746 where: bonds (distance) C4'-P energy: -60.361 bonds (distance) P-C4' energy: -60.810 flat angles C4'-P-C4' energy: -78.193 flat angles P-C4'-P energy: -47.715 tors. eta vs tors. theta energy: -77.418 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: 151 Temperature: 1.150000 Total energy: -732.633500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.633500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.633500 (E_RNA) where: Base-Base interactions energy: -452.934 where: short stacking energy: -231.595 Base-Backbone interact. energy: 1.707 local terms energy: -281.406937 where: bonds (distance) C4'-P energy: -58.433 bonds (distance) P-C4' energy: -60.017 flat angles C4'-P-C4' energy: -62.630 flat angles P-C4'-P energy: -43.912 tors. eta vs tors. theta energy: -56.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -762.776942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.776942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.776942 (E_RNA) where: Base-Base interactions energy: -496.412 where: short stacking energy: -230.594 Base-Backbone interact. energy: -0.670 local terms energy: -265.695290 where: bonds (distance) C4'-P energy: -58.000 bonds (distance) P-C4' energy: -69.760 flat angles C4'-P-C4' energy: -58.113 flat angles P-C4'-P energy: -36.524 tors. eta vs tors. theta energy: -43.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -491.651125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.651125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.651125 (E_RNA) where: Base-Base interactions energy: -262.487 where: short stacking energy: -165.181 Base-Backbone interact. energy: 1.021 local terms energy: -230.184938 where: bonds (distance) C4'-P energy: -53.119 bonds (distance) P-C4' energy: -58.173 flat angles C4'-P-C4' energy: -49.407 flat angles P-C4'-P energy: -42.050 tors. eta vs tors. theta energy: -27.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -510.298040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.298040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.298040 (E_RNA) where: Base-Base interactions energy: -272.830 where: short stacking energy: -157.385 Base-Backbone interact. energy: -1.392 local terms energy: -236.075664 where: bonds (distance) C4'-P energy: -54.650 bonds (distance) P-C4' energy: -60.352 flat angles C4'-P-C4' energy: -52.373 flat angles P-C4'-P energy: -43.197 tors. eta vs tors. theta energy: -25.503 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: 151 Temperature: 1.350000 Total energy: -297.302735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.302735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.302735 (E_RNA) where: Base-Base interactions energy: -128.841 where: short stacking energy: -90.297 Base-Backbone interact. energy: 0.159 local terms energy: -168.621075 where: bonds (distance) C4'-P energy: -59.841 bonds (distance) P-C4' energy: -35.352 flat angles C4'-P-C4' energy: -57.240 flat angles P-C4'-P energy: -31.113 tors. eta vs tors. theta energy: 14.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1078.057698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.057698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.057698 (E_RNA) where: Base-Base interactions energy: -728.713 where: short stacking energy: -344.573 Base-Backbone interact. energy: -0.571 local terms energy: -348.774103 where: bonds (distance) C4'-P energy: -61.533 bonds (distance) P-C4' energy: -67.671 flat angles C4'-P-C4' energy: -75.541 flat angles P-C4'-P energy: -48.406 tors. eta vs tors. theta energy: -95.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1039.588530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.588530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.588530 (E_RNA) where: Base-Base interactions energy: -688.121 where: short stacking energy: -324.669 Base-Backbone interact. energy: -0.924 local terms energy: -350.543668 where: bonds (distance) C4'-P energy: -64.188 bonds (distance) P-C4' energy: -72.795 flat angles C4'-P-C4' energy: -77.082 flat angles P-C4'-P energy: -42.906 tors. eta vs tors. theta energy: -93.573 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: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1008.492571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.492571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.492571 (E_RNA) where: Base-Base interactions energy: -671.936 where: short stacking energy: -308.292 Base-Backbone interact. energy: -1.985 local terms energy: -334.572237 where: bonds (distance) C4'-P energy: -66.148 bonds (distance) P-C4' energy: -68.589 flat angles C4'-P-C4' energy: -74.193 flat angles P-C4'-P energy: -41.970 tors. eta vs tors. theta energy: -83.673 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: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -879.554239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.554239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.554239 (E_RNA) where: Base-Base interactions energy: -568.242 where: short stacking energy: -254.623 Base-Backbone interact. energy: 0.296 local terms energy: -311.608308 where: bonds (distance) C4'-P energy: -73.879 bonds (distance) P-C4' energy: -60.004 flat angles C4'-P-C4' energy: -71.585 flat angles P-C4'-P energy: -46.871 tors. eta vs tors. theta energy: -59.271 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: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -942.894148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.894148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.894148 (E_RNA) where: Base-Base interactions energy: -600.997 where: short stacking energy: -293.203 Base-Backbone interact. energy: -0.177 local terms energy: -341.719311 where: bonds (distance) C4'-P energy: -67.029 bonds (distance) P-C4' energy: -70.234 flat angles C4'-P-C4' energy: -79.279 flat angles P-C4'-P energy: -41.533 tors. eta vs tors. theta energy: -83.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -722.348604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.348604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.348604 (E_RNA) where: Base-Base interactions energy: -443.945 where: short stacking energy: -224.546 Base-Backbone interact. energy: -0.332 local terms energy: -278.071203 where: bonds (distance) C4'-P energy: -58.443 bonds (distance) P-C4' energy: -70.823 flat angles C4'-P-C4' energy: -57.352 flat angles P-C4'-P energy: -43.922 tors. eta vs tors. theta energy: -47.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -726.799995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.799995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.799995 (E_RNA) where: Base-Base interactions energy: -460.554 where: short stacking energy: -213.086 Base-Backbone interact. energy: 0.107 local terms energy: -266.352509 where: bonds (distance) C4'-P energy: -57.915 bonds (distance) P-C4' energy: -49.787 flat angles C4'-P-C4' energy: -69.516 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: -49.144 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: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -533.946261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.946261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.946261 (E_RNA) where: Base-Base interactions energy: -315.603 where: short stacking energy: -146.842 Base-Backbone interact. energy: 0.174 local terms energy: -218.516987 where: bonds (distance) C4'-P energy: -50.440 bonds (distance) P-C4' energy: -63.299 flat angles C4'-P-C4' energy: -48.937 flat angles P-C4'-P energy: -30.065 tors. eta vs tors. theta energy: -25.776 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: 6 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -477.558434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.558434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.558434 (E_RNA) where: Base-Base interactions energy: -233.181 where: short stacking energy: -136.171 Base-Backbone interact. energy: -0.943 local terms energy: -243.434023 where: bonds (distance) C4'-P energy: -68.702 bonds (distance) P-C4' energy: -65.910 flat angles C4'-P-C4' energy: -51.846 flat angles P-C4'-P energy: -31.626 tors. eta vs tors. theta energy: -25.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -296.907895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.907895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.907895 (E_RNA) where: Base-Base interactions energy: -100.417 where: short stacking energy: -94.136 Base-Backbone interact. energy: -0.159 local terms energy: -196.331295 where: bonds (distance) C4'-P energy: -59.324 bonds (distance) P-C4' energy: -62.841 flat angles C4'-P-C4' energy: -41.581 flat angles P-C4'-P energy: -26.690 tors. eta vs tors. theta energy: -5.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1083.907214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.907214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.907214 (E_RNA) where: Base-Base interactions energy: -704.309 where: short stacking energy: -336.912 Base-Backbone interact. energy: -0.949 local terms energy: -378.648871 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -72.322 flat angles C4'-P-C4' energy: -81.012 flat angles P-C4'-P energy: -58.553 tors. eta vs tors. theta energy: -93.358 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: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1022.002992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.002992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.002992 (E_RNA) where: Base-Base interactions energy: -692.149 where: short stacking energy: -294.407 Base-Backbone interact. energy: -1.771 local terms energy: -328.082764 where: bonds (distance) C4'-P energy: -63.470 bonds (distance) P-C4' energy: -71.043 flat angles C4'-P-C4' energy: -65.191 flat angles P-C4'-P energy: -52.673 tors. eta vs tors. theta energy: -75.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1026.651190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.651190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.651190 (E_RNA) where: Base-Base interactions energy: -674.953 where: short stacking energy: -321.332 Base-Backbone interact. energy: 0.624 local terms energy: -352.321448 where: bonds (distance) C4'-P energy: -64.058 bonds (distance) P-C4' energy: -66.234 flat angles C4'-P-C4' energy: -78.134 flat angles P-C4'-P energy: -44.522 tors. eta vs tors. theta energy: -99.375 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: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -948.649737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.649737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.649737 (E_RNA) where: Base-Base interactions energy: -610.412 where: short stacking energy: -288.194 Base-Backbone interact. energy: -2.228 local terms energy: -336.010049 where: bonds (distance) C4'-P energy: -69.975 bonds (distance) P-C4' energy: -71.260 flat angles C4'-P-C4' energy: -64.181 flat angles P-C4'-P energy: -38.516 tors. eta vs tors. theta energy: -92.079 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: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -817.839567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.839567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.839567 (E_RNA) where: Base-Base interactions energy: -528.084 where: short stacking energy: -239.753 Base-Backbone interact. energy: -1.361 local terms energy: -288.394667 where: bonds (distance) C4'-P energy: -63.252 bonds (distance) P-C4' energy: -59.541 flat angles C4'-P-C4' energy: -62.573 flat angles P-C4'-P energy: -36.863 tors. eta vs tors. theta energy: -66.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -744.468298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.468298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.468298 (E_RNA) where: Base-Base interactions energy: -468.867 where: short stacking energy: -236.675 Base-Backbone interact. energy: -0.845 local terms energy: -274.755891 where: bonds (distance) C4'-P energy: -57.467 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -67.481 flat angles P-C4'-P energy: -32.705 tors. eta vs tors. theta energy: -54.481 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: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -755.309605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.309605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.309605 (E_RNA) where: Base-Base interactions energy: -478.842 where: short stacking energy: -231.386 Base-Backbone interact. energy: -0.500 local terms energy: -275.967523 where: bonds (distance) C4'-P energy: -52.778 bonds (distance) P-C4' energy: -58.135 flat angles C4'-P-C4' energy: -65.584 flat angles P-C4'-P energy: -45.612 tors. eta vs tors. theta energy: -53.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -558.993597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.993597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.993597 (E_RNA) where: Base-Base interactions energy: -328.207 where: short stacking energy: -151.940 Base-Backbone interact. energy: 0.642 local terms energy: -231.427771 where: bonds (distance) C4'-P energy: -56.700 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -49.378 flat angles P-C4'-P energy: -45.980 tors. eta vs tors. theta energy: -19.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -464.133192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.133192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.133192 (E_RNA) where: Base-Base interactions energy: -224.308 where: short stacking energy: -130.699 Base-Backbone interact. energy: -0.315 local terms energy: -239.510361 where: bonds (distance) C4'-P energy: -58.540 bonds (distance) P-C4' energy: -69.953 flat angles C4'-P-C4' energy: -58.280 flat angles P-C4'-P energy: -37.259 tors. eta vs tors. theta energy: -15.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -290.688020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.688020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.688020 (E_RNA) where: Base-Base interactions energy: -104.578 where: short stacking energy: -68.379 Base-Backbone interact. energy: -0.913 local terms energy: -185.196863 where: bonds (distance) C4'-P energy: -59.801 bonds (distance) P-C4' energy: -67.650 flat angles C4'-P-C4' energy: -43.694 flat angles P-C4'-P energy: -24.829 tors. eta vs tors. theta energy: 10.777 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: 154 Temperature: 0.900000 Total energy: -1088.765038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.765038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.765038 (E_RNA) where: Base-Base interactions energy: -725.597 where: short stacking energy: -317.083 Base-Backbone interact. energy: -3.010 local terms energy: -360.158329 where: bonds (distance) C4'-P energy: -68.637 bonds (distance) P-C4' energy: -76.081 flat angles C4'-P-C4' energy: -80.321 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -84.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1012.159188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.159188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.159188 (E_RNA) where: Base-Base interactions energy: -674.565 where: short stacking energy: -305.618 Base-Backbone interact. energy: 0.009 local terms energy: -337.604067 where: bonds (distance) C4'-P energy: -61.458 bonds (distance) P-C4' energy: -68.114 flat angles C4'-P-C4' energy: -75.405 flat angles P-C4'-P energy: -51.582 tors. eta vs tors. theta energy: -81.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1032.389117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.389117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.389117 (E_RNA) where: Base-Base interactions energy: -688.670 where: short stacking energy: -337.204 Base-Backbone interact. energy: -0.405 local terms energy: -343.314078 where: bonds (distance) C4'-P energy: -59.535 bonds (distance) P-C4' energy: -67.791 flat angles C4'-P-C4' energy: -70.367 flat angles P-C4'-P energy: -55.438 tors. eta vs tors. theta energy: -90.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -974.853015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.853015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.853015 (E_RNA) where: Base-Base interactions energy: -646.984 where: short stacking energy: -314.978 Base-Backbone interact. energy: -1.736 local terms energy: -326.133074 where: bonds (distance) C4'-P energy: -56.566 bonds (distance) P-C4' energy: -69.732 flat angles C4'-P-C4' energy: -71.758 flat angles P-C4'-P energy: -43.038 tors. eta vs tors. theta energy: -85.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -805.821697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.821697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.821697 (E_RNA) where: Base-Base interactions energy: -518.102 where: short stacking energy: -235.038 Base-Backbone interact. energy: 0.624 local terms energy: -288.343302 where: bonds (distance) C4'-P energy: -58.702 bonds (distance) P-C4' energy: -65.820 flat angles C4'-P-C4' energy: -70.750 flat angles P-C4'-P energy: -42.065 tors. eta vs tors. theta energy: -51.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -758.412515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.412515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.412515 (E_RNA) where: Base-Base interactions energy: -473.040 where: short stacking energy: -220.248 Base-Backbone interact. energy: 0.815 local terms energy: -286.187478 where: bonds (distance) C4'-P energy: -73.720 bonds (distance) P-C4' energy: -66.198 flat angles C4'-P-C4' energy: -61.614 flat angles P-C4'-P energy: -32.229 tors. eta vs tors. theta energy: -52.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -707.605377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.605377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.605377 (E_RNA) where: Base-Base interactions energy: -428.255 where: short stacking energy: -184.565 Base-Backbone interact. energy: 0.671 local terms energy: -280.020857 where: bonds (distance) C4'-P energy: -59.237 bonds (distance) P-C4' energy: -67.503 flat angles C4'-P-C4' energy: -68.173 flat angles P-C4'-P energy: -39.630 tors. eta vs tors. theta energy: -45.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -546.879426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.879426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.879426 (E_RNA) where: Base-Base interactions energy: -318.163 where: short stacking energy: -159.115 Base-Backbone interact. energy: -0.867 local terms energy: -227.849520 where: bonds (distance) C4'-P energy: -51.152 bonds (distance) P-C4' energy: -67.718 flat angles C4'-P-C4' energy: -51.066 flat angles P-C4'-P energy: -40.840 tors. eta vs tors. theta energy: -17.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -484.752171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.752171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.752171 (E_RNA) where: Base-Base interactions energy: -262.397 where: short stacking energy: -137.318 Base-Backbone interact. energy: 0.037 local terms energy: -222.392489 where: bonds (distance) C4'-P energy: -49.941 bonds (distance) P-C4' energy: -54.688 flat angles C4'-P-C4' energy: -60.228 flat angles P-C4'-P energy: -36.582 tors. eta vs tors. theta energy: -20.953 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: 154 Temperature: 1.350000 Total energy: -337.282755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.282755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.282755 (E_RNA) where: Base-Base interactions energy: -145.251 where: short stacking energy: -70.625 Base-Backbone interact. energy: 0.383 local terms energy: -192.414354 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -57.386 flat angles C4'-P-C4' energy: -50.399 flat angles P-C4'-P energy: -31.797 tors. eta vs tors. theta energy: 4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1098.851073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.851073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.851073 (E_RNA) where: Base-Base interactions energy: -740.863 where: short stacking energy: -331.642 Base-Backbone interact. energy: -3.334 local terms energy: -354.653678 where: bonds (distance) C4'-P energy: -72.425 bonds (distance) P-C4' energy: -65.821 flat angles C4'-P-C4' energy: -81.968 flat angles P-C4'-P energy: -45.564 tors. eta vs tors. theta energy: -88.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1050.711436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.711436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.711436 (E_RNA) where: Base-Base interactions energy: -700.129 where: short stacking energy: -334.518 Base-Backbone interact. energy: -0.413 local terms energy: -350.168847 where: bonds (distance) C4'-P energy: -61.305 bonds (distance) P-C4' energy: -68.533 flat angles C4'-P-C4' energy: -76.209 flat angles P-C4'-P energy: -51.388 tors. eta vs tors. theta energy: -92.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1014.577432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.577432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.577432 (E_RNA) where: Base-Base interactions energy: -658.449 where: short stacking energy: -307.661 Base-Backbone interact. energy: -1.092 local terms energy: -355.035997 where: bonds (distance) C4'-P energy: -54.886 bonds (distance) P-C4' energy: -74.271 flat angles C4'-P-C4' energy: -81.752 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -92.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -968.562681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.562681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.562681 (E_RNA) where: Base-Base interactions energy: -621.130 where: short stacking energy: -309.319 Base-Backbone interact. energy: -1.542 local terms energy: -345.890517 where: bonds (distance) C4'-P energy: -66.154 bonds (distance) P-C4' energy: -66.275 flat angles C4'-P-C4' energy: -81.114 flat angles P-C4'-P energy: -43.202 tors. eta vs tors. theta energy: -89.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -830.586220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.586220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.586220 (E_RNA) where: Base-Base interactions energy: -548.272 where: short stacking energy: -249.378 Base-Backbone interact. energy: -0.817 local terms energy: -281.496994 where: bonds (distance) C4'-P energy: -61.663 bonds (distance) P-C4' energy: -54.051 flat angles C4'-P-C4' energy: -68.395 flat angles P-C4'-P energy: -37.375 tors. eta vs tors. theta energy: -60.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -771.262149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.262149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.262149 (E_RNA) where: Base-Base interactions energy: -466.634 where: short stacking energy: -240.643 Base-Backbone interact. energy: -0.186 local terms energy: -304.441844 where: bonds (distance) C4'-P energy: -58.019 bonds (distance) P-C4' energy: -74.110 flat angles C4'-P-C4' energy: -68.081 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: -59.193 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: 7, replica: 3 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -689.214114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.214114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.214114 (E_RNA) where: Base-Base interactions energy: -442.475 where: short stacking energy: -225.152 Base-Backbone interact. energy: -1.494 local terms energy: -245.244466 where: bonds (distance) C4'-P energy: -50.326 bonds (distance) P-C4' energy: -47.221 flat angles C4'-P-C4' energy: -60.968 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -42.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -577.917081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.917081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.917081 (E_RNA) where: Base-Base interactions energy: -344.872 where: short stacking energy: -182.971 Base-Backbone interact. energy: 3.105 local terms energy: -236.150470 where: bonds (distance) C4'-P energy: -58.639 bonds (distance) P-C4' energy: -57.822 flat angles C4'-P-C4' energy: -46.112 flat angles P-C4'-P energy: -43.472 tors. eta vs tors. theta energy: -30.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -461.415149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.415149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.415149 (E_RNA) where: Base-Base interactions energy: -265.044 where: short stacking energy: -142.377 Base-Backbone interact. energy: -0.358 local terms energy: -196.012476 where: bonds (distance) C4'-P energy: -54.864 bonds (distance) P-C4' energy: -56.073 flat angles C4'-P-C4' energy: -50.349 flat angles P-C4'-P energy: -16.952 tors. eta vs tors. theta energy: -17.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -323.595177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.595177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.595177 (E_RNA) where: Base-Base interactions energy: -162.195 where: short stacking energy: -98.532 Base-Backbone interact. energy: 0.468 local terms energy: -161.867507 where: bonds (distance) C4'-P energy: -51.364 bonds (distance) P-C4' energy: -59.286 flat angles C4'-P-C4' energy: -43.249 flat angles P-C4'-P energy: -21.903 tors. eta vs tors. theta energy: 13.935 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: 156 Temperature: 0.900000 Total energy: -1112.300112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.300112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.300112 (E_RNA) where: Base-Base interactions energy: -746.501 where: short stacking energy: -343.589 Base-Backbone interact. energy: -2.575 local terms energy: -363.224380 where: bonds (distance) C4'-P energy: -67.861 bonds (distance) P-C4' energy: -75.687 flat angles C4'-P-C4' energy: -83.890 flat angles P-C4'-P energy: -46.358 tors. eta vs tors. theta energy: -89.428 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: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1061.250877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.250877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.250877 (E_RNA) where: Base-Base interactions energy: -712.001 where: short stacking energy: -348.273 Base-Backbone interact. energy: -1.539 local terms energy: -347.711254 where: bonds (distance) C4'-P energy: -63.958 bonds (distance) P-C4' energy: -59.007 flat angles C4'-P-C4' energy: -77.735 flat angles P-C4'-P energy: -52.039 tors. eta vs tors. theta energy: -94.972 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: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1007.212359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.212359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.212359 (E_RNA) where: Base-Base interactions energy: -672.818 where: short stacking energy: -311.624 Base-Backbone interact. energy: 2.050 local terms energy: -336.444459 where: bonds (distance) C4'-P energy: -62.304 bonds (distance) P-C4' energy: -70.835 flat angles C4'-P-C4' energy: -71.973 flat angles P-C4'-P energy: -43.117 tors. eta vs tors. theta energy: -88.215 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: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -953.951335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.951335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.951335 (E_RNA) where: Base-Base interactions energy: -636.451 where: short stacking energy: -299.862 Base-Backbone interact. energy: -2.983 local terms energy: -314.517081 where: bonds (distance) C4'-P energy: -53.119 bonds (distance) P-C4' energy: -62.724 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -44.804 tors. eta vs tors. theta energy: -82.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -819.988297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.988297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.988297 (E_RNA) where: Base-Base interactions energy: -555.950 where: short stacking energy: -252.366 Base-Backbone interact. energy: 0.127 local terms energy: -264.165439 where: bonds (distance) C4'-P energy: -49.767 bonds (distance) P-C4' energy: -59.270 flat angles C4'-P-C4' energy: -67.062 flat angles P-C4'-P energy: -37.684 tors. eta vs tors. theta energy: -50.383 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: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -759.663334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.663334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.663334 (E_RNA) where: Base-Base interactions energy: -489.238 where: short stacking energy: -228.377 Base-Backbone interact. energy: -0.207 local terms energy: -270.218018 where: bonds (distance) C4'-P energy: -55.573 bonds (distance) P-C4' energy: -52.241 flat angles C4'-P-C4' energy: -72.545 flat angles P-C4'-P energy: -41.681 tors. eta vs tors. theta energy: -48.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -705.416865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.416865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.416865 (E_RNA) where: Base-Base interactions energy: -459.608 where: short stacking energy: -216.071 Base-Backbone interact. energy: -0.713 local terms energy: -245.096359 where: bonds (distance) C4'-P energy: -55.117 bonds (distance) P-C4' energy: -52.971 flat angles C4'-P-C4' energy: -51.165 flat angles P-C4'-P energy: -39.856 tors. eta vs tors. theta energy: -45.988 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: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -595.661577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.661577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.661577 (E_RNA) where: Base-Base interactions energy: -359.004 where: short stacking energy: -184.037 Base-Backbone interact. energy: 2.807 local terms energy: -239.465063 where: bonds (distance) C4'-P energy: -51.134 bonds (distance) P-C4' energy: -62.716 flat angles C4'-P-C4' energy: -62.688 flat angles P-C4'-P energy: -36.473 tors. eta vs tors. theta energy: -26.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -504.534275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.534275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.534275 (E_RNA) where: Base-Base interactions energy: -272.490 where: short stacking energy: -153.198 Base-Backbone interact. energy: 4.154 local terms energy: -236.198296 where: bonds (distance) C4'-P energy: -61.215 bonds (distance) P-C4' energy: -60.305 flat angles C4'-P-C4' energy: -56.490 flat angles P-C4'-P energy: -34.209 tors. eta vs tors. theta energy: -23.979 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: 10, replica: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -310.597755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.597755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.597755 (E_RNA) where: Base-Base interactions energy: -123.588 where: short stacking energy: -101.491 Base-Backbone interact. energy: -0.564 local terms energy: -186.445471 where: bonds (distance) C4'-P energy: -59.029 bonds (distance) P-C4' energy: -65.290 flat angles C4'-P-C4' energy: -50.398 flat angles P-C4'-P energy: -22.935 tors. eta vs tors. theta energy: 11.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1091.503971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.503971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.503971 (E_RNA) where: Base-Base interactions energy: -744.997 where: short stacking energy: -322.691 Base-Backbone interact. energy: -1.237 local terms energy: -345.269723 where: bonds (distance) C4'-P energy: -57.542 bonds (distance) P-C4' energy: -65.851 flat angles C4'-P-C4' energy: -80.851 flat angles P-C4'-P energy: -54.055 tors. eta vs tors. theta energy: -86.970 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: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1090.098079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.098079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.098079 (E_RNA) where: Base-Base interactions energy: -735.567 where: short stacking energy: -351.806 Base-Backbone interact. energy: -0.881 local terms energy: -353.650144 where: bonds (distance) C4'-P energy: -69.055 bonds (distance) P-C4' energy: -63.698 flat angles C4'-P-C4' energy: -75.914 flat angles P-C4'-P energy: -49.334 tors. eta vs tors. theta energy: -95.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -981.907690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.907690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.907690 (E_RNA) where: Base-Base interactions energy: -647.223 where: short stacking energy: -302.794 Base-Backbone interact. energy: 0.086 local terms energy: -334.771620 where: bonds (distance) C4'-P energy: -61.455 bonds (distance) P-C4' energy: -69.829 flat angles C4'-P-C4' energy: -75.220 flat angles P-C4'-P energy: -49.752 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: 157 Temperature: 1.050000 Total energy: -947.968219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.968219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.968219 (E_RNA) where: Base-Base interactions energy: -620.871 where: short stacking energy: -302.501 Base-Backbone interact. energy: -0.835 local terms energy: -326.262220 where: bonds (distance) C4'-P energy: -61.167 bonds (distance) P-C4' energy: -65.312 flat angles C4'-P-C4' energy: -74.534 flat angles P-C4'-P energy: -34.310 tors. eta vs tors. theta energy: -90.939 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: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -828.761074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.761074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.761074 (E_RNA) where: Base-Base interactions energy: -537.325 where: short stacking energy: -263.295 Base-Backbone interact. energy: -1.231 local terms energy: -290.204489 where: bonds (distance) C4'-P energy: -60.044 bonds (distance) P-C4' energy: -57.609 flat angles C4'-P-C4' energy: -62.045 flat angles P-C4'-P energy: -43.491 tors. eta vs tors. theta energy: -67.016 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: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -737.319470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.319470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.319470 (E_RNA) where: Base-Base interactions energy: -454.070 where: short stacking energy: -244.371 Base-Backbone interact. energy: 1.041 local terms energy: -284.290896 where: bonds (distance) C4'-P energy: -55.314 bonds (distance) P-C4' energy: -56.963 flat angles C4'-P-C4' energy: -62.654 flat angles P-C4'-P energy: -45.628 tors. eta vs tors. theta energy: -63.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -732.002196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.002196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.002196 (E_RNA) where: Base-Base interactions energy: -467.967 where: short stacking energy: -219.928 Base-Backbone interact. energy: -1.032 local terms energy: -263.002646 where: bonds (distance) C4'-P energy: -46.377 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -63.233 flat angles P-C4'-P energy: -37.773 tors. eta vs tors. theta energy: -53.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -634.269844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.269844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.269844 (E_RNA) where: Base-Base interactions energy: -361.760 where: short stacking energy: -167.393 Base-Backbone interact. energy: -1.195 local terms energy: -271.315271 where: bonds (distance) C4'-P energy: -68.107 bonds (distance) P-C4' energy: -55.627 flat angles C4'-P-C4' energy: -72.211 flat angles P-C4'-P energy: -41.251 tors. eta vs tors. theta energy: -34.119 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: 9, replica: 6 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -472.254375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.254375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.254375 (E_RNA) where: Base-Base interactions energy: -247.504 where: short stacking energy: -141.477 Base-Backbone interact. energy: 2.659 local terms energy: -227.409336 where: bonds (distance) C4'-P energy: -61.829 bonds (distance) P-C4' energy: -62.089 flat angles C4'-P-C4' energy: -58.959 flat angles P-C4'-P energy: -29.135 tors. eta vs tors. theta energy: -15.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -292.916636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.916636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.916636 (E_RNA) where: Base-Base interactions energy: -121.728 where: short stacking energy: -110.671 Base-Backbone interact. energy: 1.310 local terms energy: -172.498576 where: bonds (distance) C4'-P energy: -59.359 bonds (distance) P-C4' energy: -49.923 flat angles C4'-P-C4' energy: -46.595 flat angles P-C4'-P energy: -26.225 tors. eta vs tors. theta energy: 9.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1096.861627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.861627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.861627 (E_RNA) where: Base-Base interactions energy: -720.895 where: short stacking energy: -345.283 Base-Backbone interact. energy: -0.966 local terms energy: -375.000610 where: bonds (distance) C4'-P energy: -71.952 bonds (distance) P-C4' energy: -74.789 flat angles C4'-P-C4' energy: -73.052 flat angles P-C4'-P energy: -52.364 tors. eta vs tors. theta energy: -102.844 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: 158 Temperature: 0.950000 Total energy: -1042.977786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.977786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.977786 (E_RNA) where: Base-Base interactions energy: -694.992 where: short stacking energy: -303.782 Base-Backbone interact. energy: -1.610 local terms energy: -346.376386 where: bonds (distance) C4'-P energy: -72.766 bonds (distance) P-C4' energy: -72.513 flat angles C4'-P-C4' energy: -69.409 flat angles P-C4'-P energy: -58.324 tors. eta vs tors. theta energy: -73.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -972.713978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.713978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.713978 (E_RNA) where: Base-Base interactions energy: -650.613 where: short stacking energy: -312.004 Base-Backbone interact. energy: 2.504 local terms energy: -324.605044 where: bonds (distance) C4'-P energy: -60.206 bonds (distance) P-C4' energy: -58.859 flat angles C4'-P-C4' energy: -70.383 flat angles P-C4'-P energy: -50.238 tors. eta vs tors. theta energy: -84.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -946.131513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.131513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.131513 (E_RNA) where: Base-Base interactions energy: -640.716 where: short stacking energy: -291.685 Base-Backbone interact. energy: -0.884 local terms energy: -304.532334 where: bonds (distance) C4'-P energy: -53.416 bonds (distance) P-C4' energy: -62.070 flat angles C4'-P-C4' energy: -68.509 flat angles P-C4'-P energy: -36.018 tors. eta vs tors. theta energy: -84.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -840.917847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.917847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.917847 (E_RNA) where: Base-Base interactions energy: -555.245 where: short stacking energy: -248.521 Base-Backbone interact. energy: 3.448 local terms energy: -289.120216 where: bonds (distance) C4'-P energy: -56.074 bonds (distance) P-C4' energy: -62.912 flat angles C4'-P-C4' energy: -67.988 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: -50.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -704.314696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.314696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.314696 (E_RNA) where: Base-Base interactions energy: -417.672 where: short stacking energy: -211.771 Base-Backbone interact. energy: 0.678 local terms energy: -287.321139 where: bonds (distance) C4'-P energy: -59.393 bonds (distance) P-C4' energy: -66.567 flat angles C4'-P-C4' energy: -69.436 flat angles P-C4'-P energy: -46.449 tors. eta vs tors. theta energy: -45.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -712.300876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.300876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.300876 (E_RNA) where: Base-Base interactions energy: -445.511 where: short stacking energy: -214.583 Base-Backbone interact. energy: 2.410 local terms energy: -269.199986 where: bonds (distance) C4'-P energy: -60.871 bonds (distance) P-C4' energy: -60.059 flat angles C4'-P-C4' energy: -57.886 flat angles P-C4'-P energy: -37.264 tors. eta vs tors. theta energy: -53.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -655.054267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.054267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.054267 (E_RNA) where: Base-Base interactions energy: -397.512 where: short stacking energy: -179.776 Base-Backbone interact. energy: -0.748 local terms energy: -256.794029 where: bonds (distance) C4'-P energy: -63.053 bonds (distance) P-C4' energy: -58.228 flat angles C4'-P-C4' energy: -62.615 flat angles P-C4'-P energy: -39.307 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: 6 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -451.642361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.642361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.642361 (E_RNA) where: Base-Base interactions energy: -232.932 where: short stacking energy: -133.539 Base-Backbone interact. energy: 0.731 local terms energy: -219.441438 where: bonds (distance) C4'-P energy: -61.073 bonds (distance) P-C4' energy: -52.128 flat angles C4'-P-C4' energy: -68.741 flat angles P-C4'-P energy: -28.423 tors. eta vs tors. theta energy: -9.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -281.978920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.978920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.978920 (E_RNA) where: Base-Base interactions energy: -111.324 where: short stacking energy: -82.054 Base-Backbone interact. energy: 1.647 local terms energy: -172.302340 where: bonds (distance) C4'-P energy: -47.691 bonds (distance) P-C4' energy: -63.512 flat angles C4'-P-C4' energy: -44.628 flat angles P-C4'-P energy: -29.395 tors. eta vs tors. theta energy: 12.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1101.405756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.405756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.405756 (E_RNA) where: Base-Base interactions energy: -734.837 where: short stacking energy: -361.196 Base-Backbone interact. energy: -1.699 local terms energy: -364.868885 where: bonds (distance) C4'-P energy: -68.821 bonds (distance) P-C4' energy: -76.209 flat angles C4'-P-C4' energy: -64.158 flat angles P-C4'-P energy: -57.050 tors. eta vs tors. theta energy: -98.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1046.967055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.967055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.967055 (E_RNA) where: Base-Base interactions energy: -726.143 where: short stacking energy: -304.908 Base-Backbone interact. energy: -0.368 local terms energy: -320.456139 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -69.868 flat angles C4'-P-C4' energy: -63.813 flat angles P-C4'-P energy: -43.624 tors. eta vs tors. theta energy: -79.991 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: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -998.186745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.186745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.186745 (E_RNA) where: Base-Base interactions energy: -645.199 where: short stacking energy: -303.554 Base-Backbone interact. energy: -1.429 local terms energy: -351.559599 where: bonds (distance) C4'-P energy: -71.055 bonds (distance) P-C4' energy: -66.453 flat angles C4'-P-C4' energy: -77.449 flat angles P-C4'-P energy: -50.404 tors. eta vs tors. theta energy: -86.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -930.773591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.773591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.773591 (E_RNA) where: Base-Base interactions energy: -614.875 where: short stacking energy: -269.331 Base-Backbone interact. energy: 1.269 local terms energy: -317.167002 where: bonds (distance) C4'-P energy: -63.780 bonds (distance) P-C4' energy: -74.538 flat angles C4'-P-C4' energy: -71.107 flat angles P-C4'-P energy: -34.286 tors. eta vs tors. theta energy: -73.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -795.844493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.844493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.844493 (E_RNA) where: Base-Base interactions energy: -518.075 where: short stacking energy: -239.131 Base-Backbone interact. energy: 0.345 local terms energy: -278.115219 where: bonds (distance) C4'-P energy: -61.239 bonds (distance) P-C4' energy: -59.505 flat angles C4'-P-C4' energy: -58.907 flat angles P-C4'-P energy: -30.422 tors. eta vs tors. theta energy: -68.041 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: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -724.553197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.553197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.553197 (E_RNA) where: Base-Base interactions energy: -447.586 where: short stacking energy: -225.181 Base-Backbone interact. energy: -1.542 local terms energy: -275.425800 where: bonds (distance) C4'-P energy: -64.019 bonds (distance) P-C4' energy: -51.193 flat angles C4'-P-C4' energy: -67.662 flat angles P-C4'-P energy: -37.662 tors. eta vs tors. theta energy: -54.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -685.255530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.255530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.255530 (E_RNA) where: Base-Base interactions energy: -430.378 where: short stacking energy: -200.974 Base-Backbone interact. energy: -0.336 local terms energy: -254.541049 where: bonds (distance) C4'-P energy: -50.464 bonds (distance) P-C4' energy: -67.968 flat angles C4'-P-C4' energy: -58.458 flat angles P-C4'-P energy: -39.193 tors. eta vs tors. theta energy: -38.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -683.496807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.496807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.496807 (E_RNA) where: Base-Base interactions energy: -441.259 where: short stacking energy: -206.823 Base-Backbone interact. energy: -0.505 local terms energy: -241.733093 where: bonds (distance) C4'-P energy: -51.940 bonds (distance) P-C4' energy: -55.744 flat angles C4'-P-C4' energy: -63.087 flat angles P-C4'-P energy: -29.935 tors. eta vs tors. theta energy: -41.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -472.433449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.433449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.433449 (E_RNA) where: Base-Base interactions energy: -254.740 where: short stacking energy: -146.344 Base-Backbone interact. energy: -1.938 local terms energy: -215.755145 where: bonds (distance) C4'-P energy: -50.205 bonds (distance) P-C4' energy: -50.487 flat angles C4'-P-C4' energy: -58.255 flat angles P-C4'-P energy: -42.304 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: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -299.695010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.695010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.695010 (E_RNA) where: Base-Base interactions energy: -110.630 where: short stacking energy: -78.720 Base-Backbone interact. energy: 2.163 local terms energy: -191.227718 where: bonds (distance) C4'-P energy: -52.050 bonds (distance) P-C4' energy: -65.310 flat angles C4'-P-C4' energy: -58.305 flat angles P-C4'-P energy: -22.115 tors. eta vs tors. theta energy: 6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1093.216150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.216150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.216150 (E_RNA) where: Base-Base interactions energy: -745.992 where: short stacking energy: -351.040 Base-Backbone interact. energy: 1.852 local terms energy: -349.076136 where: bonds (distance) C4'-P energy: -66.156 bonds (distance) P-C4' energy: -68.462 flat angles C4'-P-C4' energy: -79.444 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -97.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1046.966975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.966975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.966975 (E_RNA) where: Base-Base interactions energy: -715.158 where: short stacking energy: -296.924 Base-Backbone interact. energy: 0.857 local terms energy: -332.665358 where: bonds (distance) C4'-P energy: -65.768 bonds (distance) P-C4' energy: -72.622 flat angles C4'-P-C4' energy: -71.944 flat angles P-C4'-P energy: -45.604 tors. eta vs tors. theta energy: -76.728 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: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -971.524084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.524084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.524084 (E_RNA) where: Base-Base interactions energy: -648.495 where: short stacking energy: -319.700 Base-Backbone interact. energy: -0.385 local terms energy: -322.644056 where: bonds (distance) C4'-P energy: -61.206 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -73.829 flat angles P-C4'-P energy: -44.970 tors. eta vs tors. theta energy: -80.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -932.152960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.152960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.152960 (E_RNA) where: Base-Base interactions energy: -595.815 where: short stacking energy: -265.363 Base-Backbone interact. energy: -2.229 local terms energy: -334.108835 where: bonds (distance) C4'-P energy: -66.889 bonds (distance) P-C4' energy: -79.153 flat angles C4'-P-C4' energy: -71.597 flat angles P-C4'-P energy: -45.474 tors. eta vs tors. theta energy: -70.996 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: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -827.715623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.715623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.715623 (E_RNA) where: Base-Base interactions energy: -533.258 where: short stacking energy: -251.237 Base-Backbone interact. energy: -0.397 local terms energy: -294.061218 where: bonds (distance) C4'-P energy: -63.275 bonds (distance) P-C4' energy: -61.043 flat angles C4'-P-C4' energy: -71.698 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: -52.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -704.120657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.120657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.120657 (E_RNA) where: Base-Base interactions energy: -428.341 where: short stacking energy: -219.794 Base-Backbone interact. energy: 0.693 local terms energy: -276.472770 where: bonds (distance) C4'-P energy: -66.336 bonds (distance) P-C4' energy: -67.277 flat angles C4'-P-C4' energy: -59.207 flat angles P-C4'-P energy: -38.500 tors. eta vs tors. theta energy: -45.153 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: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -714.419613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.419613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.419613 (E_RNA) where: Base-Base interactions energy: -434.248 where: short stacking energy: -233.490 Base-Backbone interact. energy: -0.065 local terms energy: -280.106041 where: bonds (distance) C4'-P energy: -54.297 bonds (distance) P-C4' energy: -62.747 flat angles C4'-P-C4' energy: -64.600 flat angles P-C4'-P energy: -39.449 tors. eta vs tors. theta energy: -59.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -691.486110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.486110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.486110 (E_RNA) where: Base-Base interactions energy: -432.278 where: short stacking energy: -187.329 Base-Backbone interact. energy: -0.662 local terms energy: -258.545754 where: bonds (distance) C4'-P energy: -60.215 bonds (distance) P-C4' energy: -55.494 flat angles C4'-P-C4' energy: -59.795 flat angles P-C4'-P energy: -42.602 tors. eta vs tors. theta energy: -40.441 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: 9, replica: 6 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -443.240391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.240391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.240391 (E_RNA) where: Base-Base interactions energy: -227.625 where: short stacking energy: -132.333 Base-Backbone interact. energy: 0.536 local terms energy: -216.151739 where: bonds (distance) C4'-P energy: -55.854 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -48.808 flat angles P-C4'-P energy: -35.909 tors. eta vs tors. theta energy: -13.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -291.945715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.945715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.945715 (E_RNA) where: Base-Base interactions energy: -90.877 where: short stacking energy: -70.138 Base-Backbone interact. energy: 0.519 local terms energy: -201.587543 where: bonds (distance) C4'-P energy: -58.707 bonds (distance) P-C4' energy: -58.621 flat angles C4'-P-C4' energy: -68.969 flat angles P-C4'-P energy: -17.176 tors. eta vs tors. theta energy: 1.886 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: 4 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1087.733535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.733535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.733535 (E_RNA) where: Base-Base interactions energy: -708.873 where: short stacking energy: -346.256 Base-Backbone interact. energy: -0.549 local terms energy: -378.311373 where: bonds (distance) C4'-P energy: -69.845 bonds (distance) P-C4' energy: -72.295 flat angles C4'-P-C4' energy: -84.592 flat angles P-C4'-P energy: -50.798 tors. eta vs tors. theta energy: -100.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1027.083708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.083708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.083708 (E_RNA) where: Base-Base interactions energy: -696.096 where: short stacking energy: -314.051 Base-Backbone interact. energy: 1.208 local terms energy: -332.195345 where: bonds (distance) C4'-P energy: -65.904 bonds (distance) P-C4' energy: -75.288 flat angles C4'-P-C4' energy: -70.718 flat angles P-C4'-P energy: -41.561 tors. eta vs tors. theta energy: -78.724 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: 3, replica: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -982.922325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.922325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.922325 (E_RNA) where: Base-Base interactions energy: -642.530 where: short stacking energy: -287.340 Base-Backbone interact. energy: 1.326 local terms energy: -341.718588 where: bonds (distance) C4'-P energy: -73.611 bonds (distance) P-C4' energy: -74.513 flat angles C4'-P-C4' energy: -67.555 flat angles P-C4'-P energy: -43.208 tors. eta vs tors. theta energy: -82.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -955.712565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.712565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.712565 (E_RNA) where: Base-Base interactions energy: -631.492 where: short stacking energy: -298.431 Base-Backbone interact. energy: -1.361 local terms energy: -322.859577 where: bonds (distance) C4'-P energy: -56.081 bonds (distance) P-C4' energy: -62.601 flat angles C4'-P-C4' energy: -73.859 flat angles P-C4'-P energy: -52.661 tors. eta vs tors. theta energy: -77.657 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: 2 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -796.335759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.335759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.335759 (E_RNA) where: Base-Base interactions energy: -503.007 where: short stacking energy: -211.189 Base-Backbone interact. energy: -0.879 local terms energy: -292.449759 where: bonds (distance) C4'-P energy: -64.338 bonds (distance) P-C4' energy: -77.106 flat angles C4'-P-C4' energy: -63.668 flat angles P-C4'-P energy: -36.161 tors. eta vs tors. theta energy: -51.177 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: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -748.085311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.085311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.085311 (E_RNA) where: Base-Base interactions energy: -470.373 where: short stacking energy: -208.373 Base-Backbone interact. energy: 0.521 local terms energy: -278.233422 where: bonds (distance) C4'-P energy: -57.979 bonds (distance) P-C4' energy: -75.583 flat angles C4'-P-C4' energy: -57.627 flat angles P-C4'-P energy: -38.771 tors. eta vs tors. theta energy: -48.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -720.559636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.559636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.559636 (E_RNA) where: Base-Base interactions energy: -457.621 where: short stacking energy: -212.183 Base-Backbone interact. energy: -0.389 local terms energy: -262.549481 where: bonds (distance) C4'-P energy: -52.534 bonds (distance) P-C4' energy: -59.824 flat angles C4'-P-C4' energy: -63.667 flat angles P-C4'-P energy: -41.234 tors. eta vs tors. theta energy: -45.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -697.314428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.314428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.314428 (E_RNA) where: Base-Base interactions energy: -432.769 where: short stacking energy: -211.200 Base-Backbone interact. energy: -0.018 local terms energy: -264.526739 where: bonds (distance) C4'-P energy: -56.060 bonds (distance) P-C4' energy: -67.637 flat angles C4'-P-C4' energy: -59.931 flat angles P-C4'-P energy: -43.598 tors. eta vs tors. theta energy: -37.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -448.234257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.234257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.234257 (E_RNA) where: Base-Base interactions energy: -232.078 where: short stacking energy: -127.724 Base-Backbone interact. energy: -0.519 local terms energy: -215.637050 where: bonds (distance) C4'-P energy: -56.343 bonds (distance) P-C4' energy: -72.253 flat angles C4'-P-C4' energy: -56.327 flat angles P-C4'-P energy: -16.163 tors. eta vs tors. theta energy: -14.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -279.740360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.740360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.740360 (E_RNA) where: Base-Base interactions energy: -90.915 where: short stacking energy: -85.371 Base-Backbone interact. energy: 0.085 local terms energy: -188.910770 where: bonds (distance) C4'-P energy: -56.913 bonds (distance) P-C4' energy: -71.927 flat angles C4'-P-C4' energy: -50.749 flat angles P-C4'-P energy: -12.192 tors. eta vs tors. theta energy: 2.870 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: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1106.121702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.121702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.121702 (E_RNA) where: Base-Base interactions energy: -734.218 where: short stacking energy: -333.919 Base-Backbone interact. energy: -1.562 local terms energy: -370.342237 where: bonds (distance) C4'-P energy: -68.869 bonds (distance) P-C4' energy: -69.156 flat angles C4'-P-C4' energy: -80.260 flat angles P-C4'-P energy: -56.777 tors. eta vs tors. theta energy: -95.279 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: 162 Temperature: 0.950000 Total energy: -1041.873269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.873269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.873269 (E_RNA) where: Base-Base interactions energy: -704.648 where: short stacking energy: -301.523 Base-Backbone interact. energy: -2.671 local terms energy: -334.554583 where: bonds (distance) C4'-P energy: -70.525 bonds (distance) P-C4' energy: -69.513 flat angles C4'-P-C4' energy: -73.133 flat angles P-C4'-P energy: -50.526 tors. eta vs tors. theta energy: -70.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -972.508892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.508892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.508892 (E_RNA) where: Base-Base interactions energy: -649.267 where: short stacking energy: -293.353 Base-Backbone interact. energy: 0.837 local terms energy: -324.077998 where: bonds (distance) C4'-P energy: -65.240 bonds (distance) P-C4' energy: -68.627 flat angles C4'-P-C4' energy: -76.271 flat angles P-C4'-P energy: -38.869 tors. eta vs tors. theta energy: -75.071 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: 162 Temperature: 1.050000 Total energy: -970.380451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.380451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.380451 (E_RNA) where: Base-Base interactions energy: -663.351 where: short stacking energy: -332.558 Base-Backbone interact. energy: 2.804 local terms energy: -309.833922 where: bonds (distance) C4'-P energy: -48.782 bonds (distance) P-C4' energy: -73.070 flat angles C4'-P-C4' energy: -64.979 flat angles P-C4'-P energy: -40.015 tors. eta vs tors. theta energy: -82.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -778.443698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.443698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.443698 (E_RNA) where: Base-Base interactions energy: -491.246 where: short stacking energy: -237.392 Base-Backbone interact. energy: -1.177 local terms energy: -286.020847 where: bonds (distance) C4'-P energy: -56.043 bonds (distance) P-C4' energy: -70.230 flat angles C4'-P-C4' energy: -66.173 flat angles P-C4'-P energy: -34.458 tors. eta vs tors. theta energy: -59.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -791.727165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.727165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.727165 (E_RNA) where: Base-Base interactions energy: -505.742 where: short stacking energy: -237.288 Base-Backbone interact. energy: 1.030 local terms energy: -287.014706 where: bonds (distance) C4'-P energy: -62.785 bonds (distance) P-C4' energy: -58.815 flat angles C4'-P-C4' energy: -59.486 flat angles P-C4'-P energy: -50.684 tors. eta vs tors. theta energy: -55.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -734.884711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.884711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.884711 (E_RNA) where: Base-Base interactions energy: -462.783 where: short stacking energy: -213.283 Base-Backbone interact. energy: 0.706 local terms energy: -272.807365 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -61.137 flat angles C4'-P-C4' energy: -65.434 flat angles P-C4'-P energy: -44.087 tors. eta vs tors. theta energy: -42.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -687.785140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.785140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.785140 (E_RNA) where: Base-Base interactions energy: -414.929 where: short stacking energy: -201.987 Base-Backbone interact. energy: 2.116 local terms energy: -274.972455 where: bonds (distance) C4'-P energy: -60.992 bonds (distance) P-C4' energy: -62.055 flat angles C4'-P-C4' energy: -78.417 flat angles P-C4'-P energy: -40.433 tors. eta vs tors. theta energy: -33.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -444.321295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.321295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.321295 (E_RNA) where: Base-Base interactions energy: -225.520 where: short stacking energy: -125.436 Base-Backbone interact. energy: -0.870 local terms energy: -217.931572 where: bonds (distance) C4'-P energy: -56.184 bonds (distance) P-C4' energy: -60.233 flat angles C4'-P-C4' energy: -52.908 flat angles P-C4'-P energy: -41.745 tors. eta vs tors. theta energy: -6.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -276.272405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.272405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.272405 (E_RNA) where: Base-Base interactions energy: -89.659 where: short stacking energy: -83.096 Base-Backbone interact. energy: -0.804 local terms energy: -185.809141 where: bonds (distance) C4'-P energy: -42.869 bonds (distance) P-C4' energy: -55.611 flat angles C4'-P-C4' energy: -56.368 flat angles P-C4'-P energy: -34.708 tors. eta vs tors. theta energy: 3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1102.023690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.023690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.023690 (E_RNA) where: Base-Base interactions energy: -748.058 where: short stacking energy: -349.204 Base-Backbone interact. energy: -1.621 local terms energy: -352.344704 where: bonds (distance) C4'-P energy: -59.759 bonds (distance) P-C4' energy: -70.455 flat angles C4'-P-C4' energy: -73.494 flat angles P-C4'-P energy: -50.175 tors. eta vs tors. theta energy: -98.462 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: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1049.334866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.334866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.334866 (E_RNA) where: Base-Base interactions energy: -701.763 where: short stacking energy: -301.992 Base-Backbone interact. energy: -1.801 local terms energy: -345.771476 where: bonds (distance) C4'-P energy: -78.374 bonds (distance) P-C4' energy: -66.758 flat angles C4'-P-C4' energy: -69.527 flat angles P-C4'-P energy: -52.982 tors. eta vs tors. theta energy: -78.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -970.447190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.447190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.447190 (E_RNA) where: Base-Base interactions energy: -635.818 where: short stacking energy: -279.095 Base-Backbone interact. energy: 1.620 local terms energy: -336.249126 where: bonds (distance) C4'-P energy: -70.848 bonds (distance) P-C4' energy: -73.133 flat angles C4'-P-C4' energy: -66.826 flat angles P-C4'-P energy: -45.777 tors. eta vs tors. theta energy: -79.665 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: 4, replica: 9 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -891.781021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.781021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.781021 (E_RNA) where: Base-Base interactions energy: -586.665 where: short stacking energy: -256.090 Base-Backbone interact. energy: -0.398 local terms energy: -304.717708 where: bonds (distance) C4'-P energy: -65.635 bonds (distance) P-C4' energy: -74.924 flat angles C4'-P-C4' energy: -68.192 flat angles P-C4'-P energy: -36.797 tors. eta vs tors. theta energy: -59.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -780.001458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.001458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.001458 (E_RNA) where: Base-Base interactions energy: -480.093 where: short stacking energy: -253.759 Base-Backbone interact. energy: -0.546 local terms energy: -299.362373 where: bonds (distance) C4'-P energy: -65.240 bonds (distance) P-C4' energy: -69.907 flat angles C4'-P-C4' energy: -61.648 flat angles P-C4'-P energy: -40.506 tors. eta vs tors. theta energy: -62.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -792.459344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.459344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.459344 (E_RNA) where: Base-Base interactions energy: -525.066 where: short stacking energy: -239.351 Base-Backbone interact. energy: -0.282 local terms energy: -267.110973 where: bonds (distance) C4'-P energy: -53.820 bonds (distance) P-C4' energy: -63.381 flat angles C4'-P-C4' energy: -71.742 flat angles P-C4'-P energy: -27.540 tors. eta vs tors. theta energy: -50.628 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: 3 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -696.928218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.928218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.928218 (E_RNA) where: Base-Base interactions energy: -415.000 where: short stacking energy: -206.958 Base-Backbone interact. energy: -1.037 local terms energy: -280.891166 where: bonds (distance) C4'-P energy: -62.128 bonds (distance) P-C4' energy: -66.755 flat angles C4'-P-C4' energy: -58.266 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -52.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -692.417242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.417242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.417242 (E_RNA) where: Base-Base interactions energy: -428.260 where: short stacking energy: -197.232 Base-Backbone interact. energy: 3.027 local terms energy: -267.184590 where: bonds (distance) C4'-P energy: -63.228 bonds (distance) P-C4' energy: -60.102 flat angles C4'-P-C4' energy: -67.888 flat angles P-C4'-P energy: -28.936 tors. eta vs tors. theta energy: -47.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -464.863638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.863638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.863638 (E_RNA) where: Base-Base interactions energy: -248.613 where: short stacking energy: -135.859 Base-Backbone interact. energy: -1.044 local terms energy: -215.206383 where: bonds (distance) C4'-P energy: -48.822 bonds (distance) P-C4' energy: -66.294 flat angles C4'-P-C4' energy: -53.291 flat angles P-C4'-P energy: -25.708 tors. eta vs tors. theta energy: -21.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -299.501607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.501607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.501607 (E_RNA) where: Base-Base interactions energy: -85.765 where: short stacking energy: -71.690 Base-Backbone interact. energy: 1.172 local terms energy: -214.908754 where: bonds (distance) C4'-P energy: -68.211 bonds (distance) P-C4' energy: -63.732 flat angles C4'-P-C4' energy: -55.332 flat angles P-C4'-P energy: -25.118 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1128.202207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.202207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.202207 (E_RNA) where: Base-Base interactions energy: -751.209 where: short stacking energy: -353.305 Base-Backbone interact. energy: -3.674 local terms energy: -373.319187 where: bonds (distance) C4'-P energy: -64.609 bonds (distance) P-C4' energy: -76.961 flat angles C4'-P-C4' energy: -79.414 flat angles P-C4'-P energy: -52.924 tors. eta vs tors. theta energy: -99.412 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: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1057.144698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.144698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.144698 (E_RNA) where: Base-Base interactions energy: -722.366 where: short stacking energy: -317.953 Base-Backbone interact. energy: -1.613 local terms energy: -333.165380 where: bonds (distance) C4'-P energy: -58.349 bonds (distance) P-C4' energy: -67.764 flat angles C4'-P-C4' energy: -78.455 flat angles P-C4'-P energy: -53.863 tors. eta vs tors. theta energy: -74.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -982.823872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.823872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.823872 (E_RNA) where: Base-Base interactions energy: -653.152 where: short stacking energy: -301.221 Base-Backbone interact. energy: -2.359 local terms energy: -327.312087 where: bonds (distance) C4'-P energy: -66.792 bonds (distance) P-C4' energy: -61.892 flat angles C4'-P-C4' energy: -65.063 flat angles P-C4'-P energy: -50.060 tors. eta vs tors. theta energy: -83.506 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: 4, replica: 9 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -875.044296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.044296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.044296 (E_RNA) where: Base-Base interactions energy: -585.636 where: short stacking energy: -255.145 Base-Backbone interact. energy: -0.019 local terms energy: -289.389855 where: bonds (distance) C4'-P energy: -54.402 bonds (distance) P-C4' energy: -59.267 flat angles C4'-P-C4' energy: -69.177 flat angles P-C4'-P energy: -46.938 tors. eta vs tors. theta energy: -59.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -830.306496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.306496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.306496 (E_RNA) where: Base-Base interactions energy: -544.364 where: short stacking energy: -262.514 Base-Backbone interact. energy: 0.513 local terms energy: -286.455278 where: bonds (distance) C4'-P energy: -61.383 bonds (distance) P-C4' energy: -60.338 flat angles C4'-P-C4' energy: -75.224 flat angles P-C4'-P energy: -34.221 tors. eta vs tors. theta energy: -55.288 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: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -733.334031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.334031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.334031 (E_RNA) where: Base-Base interactions energy: -467.616 where: short stacking energy: -207.928 Base-Backbone interact. energy: -1.294 local terms energy: -264.423810 where: bonds (distance) C4'-P energy: -53.389 bonds (distance) P-C4' energy: -65.466 flat angles C4'-P-C4' energy: -62.723 flat angles P-C4'-P energy: -35.409 tors. eta vs tors. theta energy: -47.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -680.551026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.551026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.551026 (E_RNA) where: Base-Base interactions energy: -421.874 where: short stacking energy: -204.012 Base-Backbone interact. energy: 3.856 local terms energy: -262.532894 where: bonds (distance) C4'-P energy: -66.611 bonds (distance) P-C4' energy: -59.861 flat angles C4'-P-C4' energy: -62.578 flat angles P-C4'-P energy: -44.220 tors. eta vs tors. theta energy: -29.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -646.563380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.563380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.563380 (E_RNA) where: Base-Base interactions energy: -405.296 where: short stacking energy: -198.316 Base-Backbone interact. energy: -1.379 local terms energy: -239.888382 where: bonds (distance) C4'-P energy: -52.800 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -57.337 flat angles P-C4'-P energy: -42.670 tors. eta vs tors. theta energy: -25.273 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: 6 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -454.170419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.170419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.170419 (E_RNA) where: Base-Base interactions energy: -233.226 where: short stacking energy: -135.493 Base-Backbone interact. energy: 2.566 local terms energy: -223.510614 where: bonds (distance) C4'-P energy: -55.885 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -56.058 flat angles P-C4'-P energy: -39.614 tors. eta vs tors. theta energy: -11.263 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: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -282.292739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.292739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.292739 (E_RNA) where: Base-Base interactions energy: -75.617 where: short stacking energy: -71.078 Base-Backbone interact. energy: -1.166 local terms energy: -205.509711 where: bonds (distance) C4'-P energy: -52.762 bonds (distance) P-C4' energy: -79.131 flat angles C4'-P-C4' energy: -60.804 flat angles P-C4'-P energy: -26.953 tors. eta vs tors. theta energy: 14.140 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: 1, replica: 4 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1143.935954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.935954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.935954 (E_RNA) where: Base-Base interactions energy: -767.097 where: short stacking energy: -354.653 Base-Backbone interact. energy: -3.958 local terms energy: -372.880582 where: bonds (distance) C4'-P energy: -78.207 bonds (distance) P-C4' energy: -77.368 flat angles C4'-P-C4' energy: -75.404 flat angles P-C4'-P energy: -47.737 tors. eta vs tors. theta energy: -94.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1050.999891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.999891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.999891 (E_RNA) where: Base-Base interactions energy: -700.135 where: short stacking energy: -323.187 Base-Backbone interact. energy: 0.003 local terms energy: -350.867728 where: bonds (distance) C4'-P energy: -61.875 bonds (distance) P-C4' energy: -74.128 flat angles C4'-P-C4' energy: -73.288 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: -88.103 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: 3, replica: 8 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -994.951713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.951713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.951713 (E_RNA) where: Base-Base interactions energy: -662.196 where: short stacking energy: -307.817 Base-Backbone interact. energy: -1.934 local terms energy: -330.821055 where: bonds (distance) C4'-P energy: -66.517 bonds (distance) P-C4' energy: -59.620 flat angles C4'-P-C4' energy: -70.042 flat angles P-C4'-P energy: -52.260 tors. eta vs tors. theta energy: -82.381 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: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -887.243990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.243990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.243990 (E_RNA) where: Base-Base interactions energy: -585.755 where: short stacking energy: -260.392 Base-Backbone interact. energy: 0.153 local terms energy: -301.641618 where: bonds (distance) C4'-P energy: -63.306 bonds (distance) P-C4' energy: -63.474 flat angles C4'-P-C4' energy: -72.876 flat angles P-C4'-P energy: -37.942 tors. eta vs tors. theta energy: -64.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -804.829658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.829658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.829658 (E_RNA) where: Base-Base interactions energy: -535.719 where: short stacking energy: -242.723 Base-Backbone interact. energy: -4.152 local terms energy: -264.959188 where: bonds (distance) C4'-P energy: -57.203 bonds (distance) P-C4' energy: -72.745 flat angles C4'-P-C4' energy: -57.507 flat angles P-C4'-P energy: -34.763 tors. eta vs tors. theta energy: -42.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -791.567103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.567103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.567103 (E_RNA) where: Base-Base interactions energy: -511.420 where: short stacking energy: -253.710 Base-Backbone interact. energy: 0.531 local terms energy: -280.677416 where: bonds (distance) C4'-P energy: -51.869 bonds (distance) P-C4' energy: -57.238 flat angles C4'-P-C4' energy: -61.947 flat angles P-C4'-P energy: -45.870 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: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -659.084437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.084437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.084437 (E_RNA) where: Base-Base interactions energy: -401.484 where: short stacking energy: -194.803 Base-Backbone interact. energy: 1.257 local terms energy: -258.857148 where: bonds (distance) C4'-P energy: -61.298 bonds (distance) P-C4' energy: -65.227 flat angles C4'-P-C4' energy: -61.735 flat angles P-C4'-P energy: -33.240 tors. eta vs tors. theta energy: -37.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -629.227186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.227186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.227186 (E_RNA) where: Base-Base interactions energy: -396.755 where: short stacking energy: -183.436 Base-Backbone interact. energy: -0.346 local terms energy: -232.125549 where: bonds (distance) C4'-P energy: -46.828 bonds (distance) P-C4' energy: -58.976 flat angles C4'-P-C4' energy: -57.273 flat angles P-C4'-P energy: -44.410 tors. eta vs tors. theta energy: -24.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -499.054284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.054284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.054284 (E_RNA) where: Base-Base interactions energy: -262.078 where: short stacking energy: -139.854 Base-Backbone interact. energy: 1.183 local terms energy: -238.158442 where: bonds (distance) C4'-P energy: -61.882 bonds (distance) P-C4' energy: -73.730 flat angles C4'-P-C4' energy: -53.205 flat angles P-C4'-P energy: -34.290 tors. eta vs tors. theta energy: -15.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -311.111929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.111929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.111929 (E_RNA) where: Base-Base interactions energy: -118.517 where: short stacking energy: -97.323 Base-Backbone interact. energy: 3.061 local terms energy: -195.655835 where: bonds (distance) C4'-P energy: -48.383 bonds (distance) P-C4' energy: -69.144 flat angles C4'-P-C4' energy: -36.645 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1139.938759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.938759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.938759 (E_RNA) where: Base-Base interactions energy: -766.213 where: short stacking energy: -343.055 Base-Backbone interact. energy: -1.398 local terms energy: -372.327892 where: bonds (distance) C4'-P energy: -67.120 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -86.959 flat angles P-C4'-P energy: -55.308 tors. eta vs tors. theta energy: -98.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1042.498265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.498265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.498265 (E_RNA) where: Base-Base interactions energy: -718.401 where: short stacking energy: -301.881 Base-Backbone interact. energy: -3.433 local terms energy: -320.663481 where: bonds (distance) C4'-P energy: -61.460 bonds (distance) P-C4' energy: -66.481 flat angles C4'-P-C4' energy: -73.740 flat angles P-C4'-P energy: -42.497 tors. eta vs tors. theta energy: -76.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -999.746545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.746545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.746545 (E_RNA) where: Base-Base interactions energy: -671.896 where: short stacking energy: -305.380 Base-Backbone interact. energy: 0.528 local terms energy: -328.378573 where: bonds (distance) C4'-P energy: -60.427 bonds (distance) P-C4' energy: -67.650 flat angles C4'-P-C4' energy: -75.720 flat angles P-C4'-P energy: -41.852 tors. eta vs tors. theta energy: -82.730 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: 9 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -884.741760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.741760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.741760 (E_RNA) where: Base-Base interactions energy: -573.000 where: short stacking energy: -276.931 Base-Backbone interact. energy: -1.208 local terms energy: -310.534682 where: bonds (distance) C4'-P energy: -59.563 bonds (distance) P-C4' energy: -63.884 flat angles C4'-P-C4' energy: -70.077 flat angles P-C4'-P energy: -52.816 tors. eta vs tors. theta energy: -64.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -801.011494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.011494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.011494 (E_RNA) where: Base-Base interactions energy: -533.184 where: short stacking energy: -219.959 Base-Backbone interact. energy: -0.731 local terms energy: -267.096544 where: bonds (distance) C4'-P energy: -50.534 bonds (distance) P-C4' energy: -63.234 flat angles C4'-P-C4' energy: -57.636 flat angles P-C4'-P energy: -36.812 tors. eta vs tors. theta energy: -58.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -774.636333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.636333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.636333 (E_RNA) where: Base-Base interactions energy: -492.149 where: short stacking energy: -242.689 Base-Backbone interact. energy: 4.823 local terms energy: -287.311099 where: bonds (distance) C4'-P energy: -57.500 bonds (distance) P-C4' energy: -61.887 flat angles C4'-P-C4' energy: -65.987 flat angles P-C4'-P energy: -48.568 tors. eta vs tors. theta energy: -53.370 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: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -702.669021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.669021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.669021 (E_RNA) where: Base-Base interactions energy: -426.774 where: short stacking energy: -223.853 Base-Backbone interact. energy: -1.818 local terms energy: -274.077032 where: bonds (distance) C4'-P energy: -52.371 bonds (distance) P-C4' energy: -61.779 flat angles C4'-P-C4' energy: -64.962 flat angles P-C4'-P energy: -48.288 tors. eta vs tors. theta energy: -46.676 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: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -623.985053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.985053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.985053 (E_RNA) where: Base-Base interactions energy: -369.111 where: short stacking energy: -190.944 Base-Backbone interact. energy: -0.659 local terms energy: -254.214617 where: bonds (distance) C4'-P energy: -52.851 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -55.301 flat angles P-C4'-P energy: -37.389 tors. eta vs tors. theta energy: -38.405 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: 6 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -461.644052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.644052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.644052 (E_RNA) where: Base-Base interactions energy: -228.595 where: short stacking energy: -130.882 Base-Backbone interact. energy: 1.033 local terms energy: -234.082042 where: bonds (distance) C4'-P energy: -49.973 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -65.327 flat angles P-C4'-P energy: -40.972 tors. eta vs tors. theta energy: -7.849 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: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -307.534514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.534514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.534514 (E_RNA) where: Base-Base interactions energy: -114.966 where: short stacking energy: -76.792 Base-Backbone interact. energy: 1.300 local terms energy: -193.868378 where: bonds (distance) C4'-P energy: -51.720 bonds (distance) P-C4' energy: -58.743 flat angles C4'-P-C4' energy: -46.032 flat angles P-C4'-P energy: -42.785 tors. eta vs tors. theta energy: 5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1151.912776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.912776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.912776 (E_RNA) where: Base-Base interactions energy: -771.963 where: short stacking energy: -349.559 Base-Backbone interact. energy: -1.664 local terms energy: -378.285110 where: bonds (distance) C4'-P energy: -73.803 bonds (distance) P-C4' energy: -74.519 flat angles C4'-P-C4' energy: -74.950 flat angles P-C4'-P energy: -50.443 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: 167 Temperature: 0.950000 Total energy: -1048.138800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.138800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.138800 (E_RNA) where: Base-Base interactions energy: -718.015 where: short stacking energy: -310.757 Base-Backbone interact. energy: -0.332 local terms energy: -329.791743 where: bonds (distance) C4'-P energy: -64.948 bonds (distance) P-C4' energy: -65.870 flat angles C4'-P-C4' energy: -75.606 flat angles P-C4'-P energy: -46.907 tors. eta vs tors. theta energy: -76.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -986.687097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.687097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.687097 (E_RNA) where: Base-Base interactions energy: -664.756 where: short stacking energy: -304.784 Base-Backbone interact. energy: -0.671 local terms energy: -321.260425 where: bonds (distance) C4'-P energy: -62.354 bonds (distance) P-C4' energy: -70.111 flat angles C4'-P-C4' energy: -58.220 flat angles P-C4'-P energy: -47.058 tors. eta vs tors. theta energy: -83.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -909.094477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.094477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.094477 (E_RNA) where: Base-Base interactions energy: -586.466 where: short stacking energy: -271.826 Base-Backbone interact. energy: -0.917 local terms energy: -321.710975 where: bonds (distance) C4'-P energy: -55.994 bonds (distance) P-C4' energy: -70.634 flat angles C4'-P-C4' energy: -72.582 flat angles P-C4'-P energy: -48.324 tors. eta vs tors. theta energy: -74.176 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: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -855.752875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.752875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.752875 (E_RNA) where: Base-Base interactions energy: -568.556 where: short stacking energy: -256.318 Base-Backbone interact. energy: -0.841 local terms energy: -286.355186 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -63.659 flat angles C4'-P-C4' energy: -56.537 flat angles P-C4'-P energy: -30.801 tors. eta vs tors. theta energy: -72.337 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: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -767.580203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.580203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.580203 (E_RNA) where: Base-Base interactions energy: -474.839 where: short stacking energy: -240.763 Base-Backbone interact. energy: -2.081 local terms energy: -290.660749 where: bonds (distance) C4'-P energy: -56.652 bonds (distance) P-C4' energy: -61.734 flat angles C4'-P-C4' energy: -67.446 flat angles P-C4'-P energy: -46.736 tors. eta vs tors. theta energy: -58.092 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: 10 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -689.381294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.381294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.381294 (E_RNA) where: Base-Base interactions energy: -418.927 where: short stacking energy: -201.860 Base-Backbone interact. energy: -1.420 local terms energy: -269.034928 where: bonds (distance) C4'-P energy: -48.180 bonds (distance) P-C4' energy: -60.227 flat angles C4'-P-C4' energy: -70.667 flat angles P-C4'-P energy: -45.262 tors. eta vs tors. theta energy: -44.699 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: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -620.272030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.272030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.272030 (E_RNA) where: Base-Base interactions energy: -362.507 where: short stacking energy: -183.393 Base-Backbone interact. energy: -1.094 local terms energy: -256.671425 where: bonds (distance) C4'-P energy: -62.780 bonds (distance) P-C4' energy: -58.681 flat angles C4'-P-C4' energy: -68.335 flat angles P-C4'-P energy: -30.137 tors. eta vs tors. theta energy: -36.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -479.426012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.426012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.426012 (E_RNA) where: Base-Base interactions energy: -252.246 where: short stacking energy: -156.863 Base-Backbone interact. energy: 2.921 local terms energy: -230.100323 where: bonds (distance) C4'-P energy: -55.914 bonds (distance) P-C4' energy: -49.609 flat angles C4'-P-C4' energy: -63.589 flat angles P-C4'-P energy: -42.303 tors. eta vs tors. theta energy: -18.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -282.328143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.328143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.328143 (E_RNA) where: Base-Base interactions energy: -118.520 where: short stacking energy: -91.832 Base-Backbone interact. energy: 3.363 local terms energy: -167.171217 where: bonds (distance) C4'-P energy: -48.060 bonds (distance) P-C4' energy: -57.495 flat angles C4'-P-C4' energy: -48.387 flat angles P-C4'-P energy: -22.924 tors. eta vs tors. theta energy: 9.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1137.772142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.772142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.772142 (E_RNA) where: Base-Base interactions energy: -767.388 where: short stacking energy: -343.960 Base-Backbone interact. energy: -0.563 local terms energy: -369.822079 where: bonds (distance) C4'-P energy: -66.735 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -79.020 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -102.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1064.315093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.315093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.315093 (E_RNA) where: Base-Base interactions energy: -725.732 where: short stacking energy: -329.301 Base-Backbone interact. energy: -1.695 local terms energy: -336.888046 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -68.695 flat angles P-C4'-P energy: -46.194 tors. eta vs tors. theta energy: -90.692 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: 3, replica: 8 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -950.350137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.350137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.350137 (E_RNA) where: Base-Base interactions energy: -626.634 where: short stacking energy: -295.723 Base-Backbone interact. energy: -1.840 local terms energy: -321.876146 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -66.031 flat angles C4'-P-C4' energy: -69.773 flat angles P-C4'-P energy: -46.883 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: 4, replica: 9 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -896.592566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.592566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.592566 (E_RNA) where: Base-Base interactions energy: -572.990 where: short stacking energy: -268.864 Base-Backbone interact. energy: -0.874 local terms energy: -322.728244 where: bonds (distance) C4'-P energy: -61.243 bonds (distance) P-C4' energy: -74.297 flat angles C4'-P-C4' energy: -72.126 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: -62.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -779.090955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.090955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.090955 (E_RNA) where: Base-Base interactions energy: -492.855 where: short stacking energy: -235.671 Base-Backbone interact. energy: -0.783 local terms energy: -285.452565 where: bonds (distance) C4'-P energy: -59.678 bonds (distance) P-C4' energy: -52.691 flat angles C4'-P-C4' energy: -71.432 flat angles P-C4'-P energy: -37.936 tors. eta vs tors. theta energy: -63.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -802.200644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.200644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.200644 (E_RNA) where: Base-Base interactions energy: -515.451 where: short stacking energy: -242.309 Base-Backbone interact. energy: -1.903 local terms energy: -284.846770 where: bonds (distance) C4'-P energy: -56.923 bonds (distance) P-C4' energy: -66.281 flat angles C4'-P-C4' energy: -60.165 flat angles P-C4'-P energy: -38.451 tors. eta vs tors. theta energy: -63.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -680.695225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.695225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.695225 (E_RNA) where: Base-Base interactions energy: -414.145 where: short stacking energy: -212.076 Base-Backbone interact. energy: -1.498 local terms energy: -265.052381 where: bonds (distance) C4'-P energy: -66.091 bonds (distance) P-C4' energy: -62.911 flat angles C4'-P-C4' energy: -55.249 flat angles P-C4'-P energy: -34.546 tors. eta vs tors. theta energy: -46.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -569.138019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.138019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.138019 (E_RNA) where: Base-Base interactions energy: -330.559 where: short stacking energy: -170.535 Base-Backbone interact. energy: 0.347 local terms energy: -238.925902 where: bonds (distance) C4'-P energy: -52.642 bonds (distance) P-C4' energy: -56.179 flat angles C4'-P-C4' energy: -65.544 flat angles P-C4'-P energy: -39.833 tors. eta vs tors. theta energy: -24.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -466.129253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.129253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.129253 (E_RNA) where: Base-Base interactions energy: -252.368 where: short stacking energy: -129.158 Base-Backbone interact. energy: 0.503 local terms energy: -214.264787 where: bonds (distance) C4'-P energy: -51.412 bonds (distance) P-C4' energy: -60.689 flat angles C4'-P-C4' energy: -63.250 flat angles P-C4'-P energy: -23.613 tors. eta vs tors. theta energy: -15.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -290.137272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.137272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.137272 (E_RNA) where: Base-Base interactions energy: -101.197 where: short stacking energy: -59.068 Base-Backbone interact. energy: 0.041 local terms energy: -188.981301 where: bonds (distance) C4'-P energy: -59.295 bonds (distance) P-C4' energy: -55.459 flat angles C4'-P-C4' energy: -51.923 flat angles P-C4'-P energy: -45.603 tors. eta vs tors. theta energy: 23.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1126.766014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.766014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.766014 (E_RNA) where: Base-Base interactions energy: -761.872 where: short stacking energy: -361.573 Base-Backbone interact. energy: -1.250 local terms energy: -363.644691 where: bonds (distance) C4'-P energy: -67.100 bonds (distance) P-C4' energy: -70.136 flat angles C4'-P-C4' energy: -70.110 flat angles P-C4'-P energy: -53.928 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: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1076.241524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.241524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.241524 (E_RNA) where: Base-Base interactions energy: -720.666 where: short stacking energy: -325.375 Base-Backbone interact. energy: -2.333 local terms energy: -353.242538 where: bonds (distance) C4'-P energy: -64.959 bonds (distance) P-C4' energy: -73.287 flat angles C4'-P-C4' energy: -76.146 flat angles P-C4'-P energy: -47.418 tors. eta vs tors. theta energy: -91.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -964.252974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.252974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.252974 (E_RNA) where: Base-Base interactions energy: -633.876 where: short stacking energy: -297.236 Base-Backbone interact. energy: -1.684 local terms energy: -328.693549 where: bonds (distance) C4'-P energy: -62.082 bonds (distance) P-C4' energy: -62.764 flat angles C4'-P-C4' energy: -71.234 flat angles P-C4'-P energy: -50.502 tors. eta vs tors. theta energy: -82.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -880.001493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.001493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.001493 (E_RNA) where: Base-Base interactions energy: -568.824 where: short stacking energy: -270.676 Base-Backbone interact. energy: -0.686 local terms energy: -310.491417 where: bonds (distance) C4'-P energy: -54.271 bonds (distance) P-C4' energy: -69.560 flat angles C4'-P-C4' energy: -68.437 flat angles P-C4'-P energy: -52.517 tors. eta vs tors. theta energy: -65.707 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: 5 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -793.657510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.657510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.657510 (E_RNA) where: Base-Base interactions energy: -487.023 where: short stacking energy: -241.012 Base-Backbone interact. energy: -0.685 local terms energy: -305.949295 where: bonds (distance) C4'-P energy: -65.557 bonds (distance) P-C4' energy: -70.803 flat angles C4'-P-C4' energy: -71.308 flat angles P-C4'-P energy: -40.329 tors. eta vs tors. theta energy: -57.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -811.540987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.540987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.540987 (E_RNA) where: Base-Base interactions energy: -524.499 where: short stacking energy: -216.049 Base-Backbone interact. energy: -0.079 local terms energy: -286.963210 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -54.374 flat angles P-C4'-P energy: -48.292 tors. eta vs tors. theta energy: -47.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -689.670012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.670012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.670012 (E_RNA) where: Base-Base interactions energy: -421.950 where: short stacking energy: -214.434 Base-Backbone interact. energy: 0.107 local terms energy: -267.827452 where: bonds (distance) C4'-P energy: -50.783 bonds (distance) P-C4' energy: -68.947 flat angles C4'-P-C4' energy: -59.759 flat angles P-C4'-P energy: -39.013 tors. eta vs tors. theta energy: -49.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -560.072238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.072238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.072238 (E_RNA) where: Base-Base interactions energy: -318.642 where: short stacking energy: -167.552 Base-Backbone interact. energy: -1.368 local terms energy: -240.061995 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -59.342 flat angles C4'-P-C4' energy: -50.119 flat angles P-C4'-P energy: -44.116 tors. eta vs tors. theta energy: -20.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -453.160299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.160299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.160299 (E_RNA) where: Base-Base interactions energy: -226.469 where: short stacking energy: -111.774 Base-Backbone interact. energy: 0.765 local terms energy: -227.455627 where: bonds (distance) C4'-P energy: -62.228 bonds (distance) P-C4' energy: -60.788 flat angles C4'-P-C4' energy: -62.009 flat angles P-C4'-P energy: -37.929 tors. eta vs tors. theta energy: -4.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -271.895485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.895485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.895485 (E_RNA) where: Base-Base interactions energy: -87.763 where: short stacking energy: -78.910 Base-Backbone interact. energy: 1.921 local terms energy: -186.053530 where: bonds (distance) C4'-P energy: -50.155 bonds (distance) P-C4' energy: -54.597 flat angles C4'-P-C4' energy: -47.425 flat angles P-C4'-P energy: -44.522 tors. eta vs tors. theta energy: 10.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1068.462470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.462470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.462470 (E_RNA) where: Base-Base interactions energy: -708.508 where: short stacking energy: -311.778 Base-Backbone interact. energy: -2.728 local terms energy: -357.226577 where: bonds (distance) C4'-P energy: -73.613 bonds (distance) P-C4' energy: -78.027 flat angles C4'-P-C4' energy: -67.551 flat angles P-C4'-P energy: -51.024 tors. eta vs tors. theta energy: -87.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1099.345923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.345923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.345923 (E_RNA) where: Base-Base interactions energy: -748.829 where: short stacking energy: -332.911 Base-Backbone interact. energy: -2.208 local terms energy: -348.309051 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -67.455 flat angles C4'-P-C4' energy: -73.057 flat angles P-C4'-P energy: -56.674 tors. eta vs tors. theta energy: -87.516 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: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -964.881927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.881927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.881927 (E_RNA) where: Base-Base interactions energy: -639.322 where: short stacking energy: -294.406 Base-Backbone interact. energy: -1.309 local terms energy: -324.250350 where: bonds (distance) C4'-P energy: -63.785 bonds (distance) P-C4' energy: -55.188 flat angles C4'-P-C4' energy: -71.840 flat angles P-C4'-P energy: -54.456 tors. eta vs tors. theta energy: -78.981 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: 9 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -898.086514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.086514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.086514 (E_RNA) where: Base-Base interactions energy: -592.621 where: short stacking energy: -266.448 Base-Backbone interact. energy: -0.492 local terms energy: -304.973331 where: bonds (distance) C4'-P energy: -55.728 bonds (distance) P-C4' energy: -63.233 flat angles C4'-P-C4' energy: -61.720 flat angles P-C4'-P energy: -55.169 tors. eta vs tors. theta energy: -69.123 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: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -816.969535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.969535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.969535 (E_RNA) where: Base-Base interactions energy: -531.936 where: short stacking energy: -235.201 Base-Backbone interact. energy: -1.694 local terms energy: -283.339921 where: bonds (distance) C4'-P energy: -59.515 bonds (distance) P-C4' energy: -65.468 flat angles C4'-P-C4' energy: -56.672 flat angles P-C4'-P energy: -39.422 tors. eta vs tors. theta energy: -62.263 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: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -791.289903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.289903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.289903 (E_RNA) where: Base-Base interactions energy: -485.900 where: short stacking energy: -230.441 Base-Backbone interact. energy: -0.571 local terms energy: -304.818849 where: bonds (distance) C4'-P energy: -65.530 bonds (distance) P-C4' energy: -73.364 flat angles C4'-P-C4' energy: -58.055 flat angles P-C4'-P energy: -47.065 tors. eta vs tors. theta energy: -60.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -668.525809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.525809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.525809 (E_RNA) where: Base-Base interactions energy: -411.338 where: short stacking energy: -197.197 Base-Backbone interact. energy: -0.774 local terms energy: -256.414167 where: bonds (distance) C4'-P energy: -59.279 bonds (distance) P-C4' energy: -67.926 flat angles C4'-P-C4' energy: -60.774 flat angles P-C4'-P energy: -34.629 tors. eta vs tors. theta energy: -33.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -571.644325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.644325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.644325 (E_RNA) where: Base-Base interactions energy: -340.237 where: short stacking energy: -196.642 Base-Backbone interact. energy: -1.408 local terms energy: -229.999473 where: bonds (distance) C4'-P energy: -54.768 bonds (distance) P-C4' energy: -61.092 flat angles C4'-P-C4' energy: -63.088 flat angles P-C4'-P energy: -24.258 tors. eta vs tors. theta energy: -26.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -459.906044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.906044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.906044 (E_RNA) where: Base-Base interactions energy: -251.544 where: short stacking energy: -146.822 Base-Backbone interact. energy: -2.164 local terms energy: -206.198854 where: bonds (distance) C4'-P energy: -53.094 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -51.540 flat angles P-C4'-P energy: -27.866 tors. eta vs tors. theta energy: -15.019 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: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -318.821615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.821615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.821615 (E_RNA) where: Base-Base interactions energy: -113.201 where: short stacking energy: -73.595 Base-Backbone interact. energy: 1.768 local terms energy: -207.387821 where: bonds (distance) C4'-P energy: -65.791 bonds (distance) P-C4' energy: -56.380 flat angles C4'-P-C4' energy: -54.542 flat angles P-C4'-P energy: -32.230 tors. eta vs tors. theta energy: 1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1093.171316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.171316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.171316 (E_RNA) where: Base-Base interactions energy: -726.891 where: short stacking energy: -327.879 Base-Backbone interact. energy: -2.888 local terms energy: -363.392444 where: bonds (distance) C4'-P energy: -69.650 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -72.180 flat angles P-C4'-P energy: -54.940 tors. eta vs tors. theta energy: -86.677 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: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1097.086224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.086224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.086224 (E_RNA) where: Base-Base interactions energy: -749.637 where: short stacking energy: -322.702 Base-Backbone interact. energy: -1.021 local terms energy: -346.427964 where: bonds (distance) C4'-P energy: -64.371 bonds (distance) P-C4' energy: -71.822 flat angles C4'-P-C4' energy: -69.195 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -93.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -975.873959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.873959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.873959 (E_RNA) where: Base-Base interactions energy: -641.513 where: short stacking energy: -303.029 Base-Backbone interact. energy: -0.852 local terms energy: -333.509356 where: bonds (distance) C4'-P energy: -65.938 bonds (distance) P-C4' energy: -67.775 flat angles C4'-P-C4' energy: -66.657 flat angles P-C4'-P energy: -48.838 tors. eta vs tors. theta energy: -84.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -894.523908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.523908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.523908 (E_RNA) where: Base-Base interactions energy: -575.873 where: short stacking energy: -263.120 Base-Backbone interact. energy: -2.396 local terms energy: -316.254490 where: bonds (distance) C4'-P energy: -53.524 bonds (distance) P-C4' energy: -58.508 flat angles C4'-P-C4' energy: -78.744 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: -71.506 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: 9 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -870.091305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.091305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.091305 (E_RNA) where: Base-Base interactions energy: -571.783 where: short stacking energy: -241.240 Base-Backbone interact. energy: 1.891 local terms energy: -300.199289 where: bonds (distance) C4'-P energy: -67.309 bonds (distance) P-C4' energy: -63.793 flat angles C4'-P-C4' energy: -71.648 flat angles P-C4'-P energy: -39.633 tors. eta vs tors. theta energy: -57.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -780.472163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.472163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.472163 (E_RNA) where: Base-Base interactions energy: -494.331 where: short stacking energy: -232.341 Base-Backbone interact. energy: -2.652 local terms energy: -283.489304 where: bonds (distance) C4'-P energy: -59.102 bonds (distance) P-C4' energy: -61.899 flat angles C4'-P-C4' energy: -68.575 flat angles P-C4'-P energy: -38.814 tors. eta vs tors. theta energy: -55.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -707.158528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.158528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.158528 (E_RNA) where: Base-Base interactions energy: -432.247 where: short stacking energy: -204.848 Base-Backbone interact. energy: 0.246 local terms energy: -275.157983 where: bonds (distance) C4'-P energy: -57.178 bonds (distance) P-C4' energy: -49.185 flat angles C4'-P-C4' energy: -70.734 flat angles P-C4'-P energy: -43.831 tors. eta vs tors. theta energy: -54.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -556.157363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.157363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.157363 (E_RNA) where: Base-Base interactions energy: -282.492 where: short stacking energy: -137.772 Base-Backbone interact. energy: -0.658 local terms energy: -273.006552 where: bonds (distance) C4'-P energy: -54.680 bonds (distance) P-C4' energy: -64.209 flat angles C4'-P-C4' energy: -73.451 flat angles P-C4'-P energy: -53.745 tors. eta vs tors. theta energy: -26.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -497.445296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.445296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.445296 (E_RNA) where: Base-Base interactions energy: -270.044 where: short stacking energy: -142.981 Base-Backbone interact. energy: 1.957 local terms energy: -229.358271 where: bonds (distance) C4'-P energy: -52.792 bonds (distance) P-C4' energy: -65.569 flat angles C4'-P-C4' energy: -56.699 flat angles P-C4'-P energy: -34.702 tors. eta vs tors. theta energy: -19.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -303.370492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.370492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.370492 (E_RNA) where: Base-Base interactions energy: -135.112 where: short stacking energy: -104.347 Base-Backbone interact. energy: -0.591 local terms energy: -167.667025 where: bonds (distance) C4'-P energy: -59.312 bonds (distance) P-C4' energy: -46.105 flat angles C4'-P-C4' energy: -50.716 flat angles P-C4'-P energy: -21.110 tors. eta vs tors. theta energy: 9.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1106.373368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.373368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.373368 (E_RNA) where: Base-Base interactions energy: -749.278 where: short stacking energy: -331.067 Base-Backbone interact. energy: -1.460 local terms energy: -355.635695 where: bonds (distance) C4'-P energy: -62.676 bonds (distance) P-C4' energy: -68.254 flat angles C4'-P-C4' energy: -82.461 flat angles P-C4'-P energy: -47.535 tors. eta vs tors. theta energy: -94.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1066.539159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.539159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.539159 (E_RNA) where: Base-Base interactions energy: -730.968 where: short stacking energy: -334.697 Base-Backbone interact. energy: -2.522 local terms energy: -333.049189 where: bonds (distance) C4'-P energy: -54.800 bonds (distance) P-C4' energy: -70.224 flat angles C4'-P-C4' energy: -68.765 flat angles P-C4'-P energy: -47.686 tors. eta vs tors. theta energy: -91.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -996.887131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.887131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.887131 (E_RNA) where: Base-Base interactions energy: -672.436 where: short stacking energy: -322.375 Base-Backbone interact. energy: 0.786 local terms energy: -325.237064 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -66.630 flat angles C4'-P-C4' energy: -67.624 flat angles P-C4'-P energy: -39.506 tors. eta vs tors. theta energy: -88.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -904.604119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.604119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.604119 (E_RNA) where: Base-Base interactions energy: -590.630 where: short stacking energy: -267.412 Base-Backbone interact. energy: -1.963 local terms energy: -312.010990 where: bonds (distance) C4'-P energy: -66.598 bonds (distance) P-C4' energy: -64.484 flat angles C4'-P-C4' energy: -67.136 flat angles P-C4'-P energy: -47.807 tors. eta vs tors. theta energy: -65.986 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: 172 Temperature: 1.100000 Total energy: -907.123405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.123405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.123405 (E_RNA) where: Base-Base interactions energy: -609.016 where: short stacking energy: -282.867 Base-Backbone interact. energy: 0.474 local terms energy: -298.580746 where: bonds (distance) C4'-P energy: -51.623 bonds (distance) P-C4' energy: -64.402 flat angles C4'-P-C4' energy: -75.832 flat angles P-C4'-P energy: -45.610 tors. eta vs tors. theta energy: -61.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -810.509573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.509573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.509573 (E_RNA) where: Base-Base interactions energy: -495.864 where: short stacking energy: -248.249 Base-Backbone interact. energy: -1.249 local terms energy: -313.395819 where: bonds (distance) C4'-P energy: -71.802 bonds (distance) P-C4' energy: -61.749 flat angles C4'-P-C4' energy: -64.597 flat angles P-C4'-P energy: -45.202 tors. eta vs tors. theta energy: -70.047 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: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -726.280079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.280079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.280079 (E_RNA) where: Base-Base interactions energy: -460.596 where: short stacking energy: -216.826 Base-Backbone interact. energy: -1.473 local terms energy: -264.211484 where: bonds (distance) C4'-P energy: -43.102 bonds (distance) P-C4' energy: -76.703 flat angles C4'-P-C4' energy: -59.395 flat angles P-C4'-P energy: -25.361 tors. eta vs tors. theta energy: -59.650 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: 3 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -553.119824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.119824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.119824 (E_RNA) where: Base-Base interactions energy: -305.843 where: short stacking energy: -173.513 Base-Backbone interact. energy: -0.553 local terms energy: -246.723998 where: bonds (distance) C4'-P energy: -57.401 bonds (distance) P-C4' energy: -63.837 flat angles C4'-P-C4' energy: -46.497 flat angles P-C4'-P energy: -40.231 tors. eta vs tors. theta energy: -38.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -512.905743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.905743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.905743 (E_RNA) where: Base-Base interactions energy: -289.395 where: short stacking energy: -146.651 Base-Backbone interact. energy: -0.443 local terms energy: -223.067707 where: bonds (distance) C4'-P energy: -54.098 bonds (distance) P-C4' energy: -68.912 flat angles C4'-P-C4' energy: -50.102 flat angles P-C4'-P energy: -32.924 tors. eta vs tors. theta energy: -17.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -374.759352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.759352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.759352 (E_RNA) where: Base-Base interactions energy: -165.440 where: short stacking energy: -90.002 Base-Backbone interact. energy: 5.414 local terms energy: -214.733280 where: bonds (distance) C4'-P energy: -60.158 bonds (distance) P-C4' energy: -61.741 flat angles C4'-P-C4' energy: -71.498 flat angles P-C4'-P energy: -24.833 tors. eta vs tors. theta energy: 3.496 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: 4 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1122.014173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.014173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.014173 (E_RNA) where: Base-Base interactions energy: -747.708 where: short stacking energy: -339.874 Base-Backbone interact. energy: -2.415 local terms energy: -371.891500 where: bonds (distance) C4'-P energy: -68.429 bonds (distance) P-C4' energy: -72.191 flat angles C4'-P-C4' energy: -76.394 flat angles P-C4'-P energy: -54.757 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: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1057.570215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.570215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.570215 (E_RNA) where: Base-Base interactions energy: -712.922 where: short stacking energy: -306.999 Base-Backbone interact. energy: 1.669 local terms energy: -346.316714 where: bonds (distance) C4'-P energy: -64.439 bonds (distance) P-C4' energy: -72.673 flat angles C4'-P-C4' energy: -79.059 flat angles P-C4'-P energy: -45.364 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: 3, replica: 8 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1003.856654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.856654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.856654 (E_RNA) where: Base-Base interactions energy: -678.859 where: short stacking energy: -328.900 Base-Backbone interact. energy: -0.560 local terms energy: -324.437493 where: bonds (distance) C4'-P energy: -59.868 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -71.915 flat angles P-C4'-P energy: -39.829 tors. eta vs tors. theta energy: -88.574 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: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -936.722842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.722842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.722842 (E_RNA) where: Base-Base interactions energy: -614.159 where: short stacking energy: -274.125 Base-Backbone interact. energy: -1.855 local terms energy: -320.708517 where: bonds (distance) C4'-P energy: -65.808 bonds (distance) P-C4' energy: -70.674 flat angles C4'-P-C4' energy: -69.799 flat angles P-C4'-P energy: -47.576 tors. eta vs tors. theta energy: -66.852 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: 2 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -857.116425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.116425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.116425 (E_RNA) where: Base-Base interactions energy: -542.239 where: short stacking energy: -254.061 Base-Backbone interact. energy: 0.047 local terms energy: -314.924983 where: bonds (distance) C4'-P energy: -63.532 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -72.784 flat angles P-C4'-P energy: -50.193 tors. eta vs tors. theta energy: -61.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -757.316426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.316426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.316426 (E_RNA) where: Base-Base interactions energy: -473.350 where: short stacking energy: -238.453 Base-Backbone interact. energy: -0.671 local terms energy: -283.295078 where: bonds (distance) C4'-P energy: -55.363 bonds (distance) P-C4' energy: -67.035 flat angles C4'-P-C4' energy: -59.994 flat angles P-C4'-P energy: -46.649 tors. eta vs tors. theta energy: -54.255 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: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -715.941025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.941025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.941025 (E_RNA) where: Base-Base interactions energy: -449.522 where: short stacking energy: -216.047 Base-Backbone interact. energy: 7.259 local terms energy: -273.678045 where: bonds (distance) C4'-P energy: -63.570 bonds (distance) P-C4' energy: -61.848 flat angles C4'-P-C4' energy: -48.826 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: -50.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -595.066087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.066087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.066087 (E_RNA) where: Base-Base interactions energy: -382.946 where: short stacking energy: -187.133 Base-Backbone interact. energy: -1.598 local terms energy: -210.521784 where: bonds (distance) C4'-P energy: -56.656 bonds (distance) P-C4' energy: -66.684 flat angles C4'-P-C4' energy: -45.933 flat angles P-C4'-P energy: -8.210 tors. eta vs tors. theta energy: -33.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -536.030831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.030831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.030831 (E_RNA) where: Base-Base interactions energy: -302.197 where: short stacking energy: -166.696 Base-Backbone interact. energy: -0.622 local terms energy: -233.212138 where: bonds (distance) C4'-P energy: -56.095 bonds (distance) P-C4' energy: -52.789 flat angles C4'-P-C4' energy: -53.347 flat angles P-C4'-P energy: -35.380 tors. eta vs tors. theta energy: -35.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -374.779507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.779507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.779507 (E_RNA) where: Base-Base interactions energy: -182.112 where: short stacking energy: -109.407 Base-Backbone interact. energy: 0.878 local terms energy: -193.545638 where: bonds (distance) C4'-P energy: -45.850 bonds (distance) P-C4' energy: -66.131 flat angles C4'-P-C4' energy: -52.541 flat angles P-C4'-P energy: -32.831 tors. eta vs tors. theta energy: 3.807 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: 1, replica: 4 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1133.457868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.457868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.457868 (E_RNA) where: Base-Base interactions energy: -770.315 where: short stacking energy: -360.926 Base-Backbone interact. energy: -1.372 local terms energy: -361.771014 where: bonds (distance) C4'-P energy: -64.700 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -83.404 flat angles P-C4'-P energy: -46.584 tors. eta vs tors. theta energy: -102.533 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: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1035.809672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.809672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.809672 (E_RNA) where: Base-Base interactions energy: -701.201 where: short stacking energy: -308.552 Base-Backbone interact. energy: -0.395 local terms energy: -334.213777 where: bonds (distance) C4'-P energy: -79.146 bonds (distance) P-C4' energy: -59.354 flat angles C4'-P-C4' energy: -70.875 flat angles P-C4'-P energy: -50.123 tors. eta vs tors. theta energy: -74.716 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: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1008.768139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.768139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.768139 (E_RNA) where: Base-Base interactions energy: -668.805 where: short stacking energy: -310.664 Base-Backbone interact. energy: -0.233 local terms energy: -339.729633 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -67.314 flat angles C4'-P-C4' energy: -83.142 flat angles P-C4'-P energy: -42.889 tors. eta vs tors. theta energy: -78.296 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: 4, replica: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -904.190204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.190204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.190204 (E_RNA) where: Base-Base interactions energy: -597.331 where: short stacking energy: -264.132 Base-Backbone interact. energy: 5.638 local terms energy: -312.496347 where: bonds (distance) C4'-P energy: -70.881 bonds (distance) P-C4' energy: -71.007 flat angles C4'-P-C4' energy: -74.099 flat angles P-C4'-P energy: -40.885 tors. eta vs tors. theta energy: -55.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -816.866159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.866159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.866159 (E_RNA) where: Base-Base interactions energy: -544.976 where: short stacking energy: -238.715 Base-Backbone interact. energy: -1.987 local terms energy: -269.902925 where: bonds (distance) C4'-P energy: -56.718 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -61.886 flat angles P-C4'-P energy: -29.290 tors. eta vs tors. theta energy: -58.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -766.217918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.217918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.217918 (E_RNA) where: Base-Base interactions energy: -480.639 where: short stacking energy: -245.670 Base-Backbone interact. energy: 1.477 local terms energy: -287.055524 where: bonds (distance) C4'-P energy: -65.437 bonds (distance) P-C4' energy: -64.974 flat angles C4'-P-C4' energy: -57.413 flat angles P-C4'-P energy: -40.397 tors. eta vs tors. theta energy: -58.835 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: 10 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -733.391053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.391053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.391053 (E_RNA) where: Base-Base interactions energy: -456.053 where: short stacking energy: -223.573 Base-Backbone interact. energy: -0.888 local terms energy: -276.450396 where: bonds (distance) C4'-P energy: -58.131 bonds (distance) P-C4' energy: -64.317 flat angles C4'-P-C4' energy: -60.936 flat angles P-C4'-P energy: -45.563 tors. eta vs tors. theta energy: -47.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -594.524146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.524146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.524146 (E_RNA) where: Base-Base interactions energy: -355.747 where: short stacking energy: -187.280 Base-Backbone interact. energy: -0.483 local terms energy: -238.294217 where: bonds (distance) C4'-P energy: -44.649 bonds (distance) P-C4' energy: -60.658 flat angles C4'-P-C4' energy: -53.670 flat angles P-C4'-P energy: -35.886 tors. eta vs tors. theta energy: -43.430 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: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -517.840060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.840060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.840060 (E_RNA) where: Base-Base interactions energy: -293.466 where: short stacking energy: -152.447 Base-Backbone interact. energy: -0.791 local terms energy: -223.583806 where: bonds (distance) C4'-P energy: -63.091 bonds (distance) P-C4' energy: -55.565 flat angles C4'-P-C4' energy: -54.011 flat angles P-C4'-P energy: -33.533 tors. eta vs tors. theta energy: -17.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -352.688375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.688375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.688375 (E_RNA) where: Base-Base interactions energy: -178.892 where: short stacking energy: -120.634 Base-Backbone interact. energy: -0.073 local terms energy: -173.722946 where: bonds (distance) C4'-P energy: -57.271 bonds (distance) P-C4' energy: -50.854 flat angles C4'-P-C4' energy: -47.414 flat angles P-C4'-P energy: -25.909 tors. eta vs tors. theta energy: 7.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1143.074609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.074609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.074609 (E_RNA) where: Base-Base interactions energy: -765.500 where: short stacking energy: -354.052 Base-Backbone interact. energy: -3.146 local terms energy: -374.428633 where: bonds (distance) C4'-P energy: -69.534 bonds (distance) P-C4' energy: -74.059 flat angles C4'-P-C4' energy: -71.493 flat angles P-C4'-P energy: -56.330 tors. eta vs tors. theta energy: -103.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1034.853382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.853382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.853382 (E_RNA) where: Base-Base interactions energy: -671.527 where: short stacking energy: -301.160 Base-Backbone interact. energy: -1.029 local terms energy: -362.297425 where: bonds (distance) C4'-P energy: -74.556 bonds (distance) P-C4' energy: -77.961 flat angles C4'-P-C4' energy: -77.008 flat angles P-C4'-P energy: -45.364 tors. eta vs tors. theta energy: -87.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -994.057517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.057517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.057517 (E_RNA) where: Base-Base interactions energy: -678.869 where: short stacking energy: -291.901 Base-Backbone interact. energy: 1.331 local terms energy: -316.519973 where: bonds (distance) C4'-P energy: -72.088 bonds (distance) P-C4' energy: -60.273 flat angles C4'-P-C4' energy: -65.897 flat angles P-C4'-P energy: -44.683 tors. eta vs tors. theta energy: -73.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -914.688650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.688650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.688650 (E_RNA) where: Base-Base interactions energy: -604.782 where: short stacking energy: -281.208 Base-Backbone interact. energy: -0.030 local terms energy: -309.875968 where: bonds (distance) C4'-P energy: -66.922 bonds (distance) P-C4' energy: -61.610 flat angles C4'-P-C4' energy: -59.533 flat angles P-C4'-P energy: -48.107 tors. eta vs tors. theta energy: -73.704 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: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -831.357531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.357531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.357531 (E_RNA) where: Base-Base interactions energy: -539.368 where: short stacking energy: -253.575 Base-Backbone interact. energy: -0.651 local terms energy: -291.338150 where: bonds (distance) C4'-P energy: -57.965 bonds (distance) P-C4' energy: -67.947 flat angles C4'-P-C4' energy: -64.716 flat angles P-C4'-P energy: -33.330 tors. eta vs tors. theta energy: -67.381 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: 10 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -781.727336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.727336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.727336 (E_RNA) where: Base-Base interactions energy: -497.169 where: short stacking energy: -223.769 Base-Backbone interact. energy: -0.998 local terms energy: -283.559878 where: bonds (distance) C4'-P energy: -53.242 bonds (distance) P-C4' energy: -63.717 flat angles C4'-P-C4' energy: -65.274 flat angles P-C4'-P energy: -50.071 tors. eta vs tors. theta energy: -51.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -747.630051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.630051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.630051 (E_RNA) where: Base-Base interactions energy: -481.227 where: short stacking energy: -228.966 Base-Backbone interact. energy: 1.688 local terms energy: -268.090305 where: bonds (distance) C4'-P energy: -65.831 bonds (distance) P-C4' energy: -53.409 flat angles C4'-P-C4' energy: -68.248 flat angles P-C4'-P energy: -32.312 tors. eta vs tors. theta energy: -48.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -594.759730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.759730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.759730 (E_RNA) where: Base-Base interactions energy: -339.604 where: short stacking energy: -154.350 Base-Backbone interact. energy: -0.319 local terms energy: -254.836935 where: bonds (distance) C4'-P energy: -58.453 bonds (distance) P-C4' energy: -57.393 flat angles C4'-P-C4' energy: -64.546 flat angles P-C4'-P energy: -40.638 tors. eta vs tors. theta energy: -33.806 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: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -503.223827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.223827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.223827 (E_RNA) where: Base-Base interactions energy: -277.264 where: short stacking energy: -151.003 Base-Backbone interact. energy: -0.812 local terms energy: -225.147108 where: bonds (distance) C4'-P energy: -55.956 bonds (distance) P-C4' energy: -65.088 flat angles C4'-P-C4' energy: -50.977 flat angles P-C4'-P energy: -30.228 tors. eta vs tors. theta energy: -22.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -354.276077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.276077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.276077 (E_RNA) where: Base-Base interactions energy: -155.879 where: short stacking energy: -88.265 Base-Backbone interact. energy: -2.624 local terms energy: -195.773189 where: bonds (distance) C4'-P energy: -51.156 bonds (distance) P-C4' energy: -63.423 flat angles C4'-P-C4' energy: -46.917 flat angles P-C4'-P energy: -38.762 tors. eta vs tors. theta energy: 4.486 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: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1124.532552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.532552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.532552 (E_RNA) where: Base-Base interactions energy: -764.053 where: short stacking energy: -341.693 Base-Backbone interact. energy: -1.588 local terms energy: -358.891434 where: bonds (distance) C4'-P energy: -65.019 bonds (distance) P-C4' energy: -73.866 flat angles C4'-P-C4' energy: -77.530 flat angles P-C4'-P energy: -53.171 tors. eta vs tors. theta energy: -89.306 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: 176 Temperature: 0.950000 Total energy: -1035.924907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.924907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.924907 (E_RNA) where: Base-Base interactions energy: -690.143 where: short stacking energy: -300.214 Base-Backbone interact. energy: -2.530 local terms energy: -343.251955 where: bonds (distance) C4'-P energy: -67.553 bonds (distance) P-C4' energy: -65.901 flat angles C4'-P-C4' energy: -72.178 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -83.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1045.271202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.271202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.271202 (E_RNA) where: Base-Base interactions energy: -674.835 where: short stacking energy: -339.164 Base-Backbone interact. energy: -1.214 local terms energy: -369.223042 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -76.650 flat angles C4'-P-C4' energy: -79.436 flat angles P-C4'-P energy: -47.858 tors. eta vs tors. theta energy: -101.983 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: 9 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -924.147102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.147102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.147102 (E_RNA) where: Base-Base interactions energy: -584.893 where: short stacking energy: -259.315 Base-Backbone interact. energy: -2.160 local terms energy: -337.093622 where: bonds (distance) C4'-P energy: -62.637 bonds (distance) P-C4' energy: -68.730 flat angles C4'-P-C4' energy: -76.237 flat angles P-C4'-P energy: -53.385 tors. eta vs tors. theta energy: -76.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -838.424801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.424801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.424801 (E_RNA) where: Base-Base interactions energy: -555.880 where: short stacking energy: -260.597 Base-Backbone interact. energy: -2.436 local terms energy: -280.109697 where: bonds (distance) C4'-P energy: -67.847 bonds (distance) P-C4' energy: -51.937 flat angles C4'-P-C4' energy: -61.268 flat angles P-C4'-P energy: -35.004 tors. eta vs tors. theta energy: -64.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -809.405586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.405586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.405586 (E_RNA) where: Base-Base interactions energy: -520.576 where: short stacking energy: -241.144 Base-Backbone interact. energy: -0.082 local terms energy: -288.747308 where: bonds (distance) C4'-P energy: -62.278 bonds (distance) P-C4' energy: -65.543 flat angles C4'-P-C4' energy: -73.876 flat angles P-C4'-P energy: -40.462 tors. eta vs tors. theta energy: -46.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -818.178073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.178073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.178073 (E_RNA) where: Base-Base interactions energy: -527.422 where: short stacking energy: -239.031 Base-Backbone interact. energy: -1.648 local terms energy: -289.107951 where: bonds (distance) C4'-P energy: -67.323 bonds (distance) P-C4' energy: -58.154 flat angles C4'-P-C4' energy: -69.119 flat angles P-C4'-P energy: -39.635 tors. eta vs tors. theta energy: -54.877 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: 3 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -610.034760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.034760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.034760 (E_RNA) where: Base-Base interactions energy: -349.165 where: short stacking energy: -182.480 Base-Backbone interact. energy: -0.990 local terms energy: -259.879707 where: bonds (distance) C4'-P energy: -56.291 bonds (distance) P-C4' energy: -64.855 flat angles C4'-P-C4' energy: -61.298 flat angles P-C4'-P energy: -43.875 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: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -512.077276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.077276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.077276 (E_RNA) where: Base-Base interactions energy: -285.061 where: short stacking energy: -149.756 Base-Backbone interact. energy: 0.046 local terms energy: -227.061791 where: bonds (distance) C4'-P energy: -64.504 bonds (distance) P-C4' energy: -66.439 flat angles C4'-P-C4' energy: -49.134 flat angles P-C4'-P energy: -35.780 tors. eta vs tors. theta energy: -11.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -355.187363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.187363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.187363 (E_RNA) where: Base-Base interactions energy: -175.649 where: short stacking energy: -120.450 Base-Backbone interact. energy: -1.564 local terms energy: -177.974138 where: bonds (distance) C4'-P energy: -52.890 bonds (distance) P-C4' energy: -57.806 flat angles C4'-P-C4' energy: -40.086 flat angles P-C4'-P energy: -21.068 tors. eta vs tors. theta energy: -6.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1111.650748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.650748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.650748 (E_RNA) where: Base-Base interactions energy: -747.282 where: short stacking energy: -343.182 Base-Backbone interact. energy: -2.568 local terms energy: -361.800251 where: bonds (distance) C4'-P energy: -72.001 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -71.387 flat angles P-C4'-P energy: -51.774 tors. eta vs tors. theta energy: -100.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1051.622876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.622876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.622876 (E_RNA) where: Base-Base interactions energy: -720.437 where: short stacking energy: -309.642 Base-Backbone interact. energy: -1.002 local terms energy: -330.184271 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -71.062 flat angles C4'-P-C4' energy: -76.153 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -80.915 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: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1038.657800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.657800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.657800 (E_RNA) where: Base-Base interactions energy: -671.553 where: short stacking energy: -339.074 Base-Backbone interact. energy: -1.096 local terms energy: -366.008380 where: bonds (distance) C4'-P energy: -68.712 bonds (distance) P-C4' energy: -72.287 flat angles C4'-P-C4' energy: -77.206 flat angles P-C4'-P energy: -44.226 tors. eta vs tors. theta energy: -103.577 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: 4, replica: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -924.335542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.335542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.335542 (E_RNA) where: Base-Base interactions energy: -617.520 where: short stacking energy: -282.990 Base-Backbone interact. energy: -1.737 local terms energy: -305.078965 where: bonds (distance) C4'-P energy: -61.248 bonds (distance) P-C4' energy: -66.991 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -48.062 tors. eta vs tors. theta energy: -58.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -819.140469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.140469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.140469 (E_RNA) where: Base-Base interactions energy: -535.793 where: short stacking energy: -233.564 Base-Backbone interact. energy: 2.358 local terms energy: -285.704701 where: bonds (distance) C4'-P energy: -55.349 bonds (distance) P-C4' energy: -76.639 flat angles C4'-P-C4' energy: -63.994 flat angles P-C4'-P energy: -39.002 tors. eta vs tors. theta energy: -50.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -816.242290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.242290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.242290 (E_RNA) where: Base-Base interactions energy: -538.674 where: short stacking energy: -248.441 Base-Backbone interact. energy: 7.514 local terms energy: -285.082114 where: bonds (distance) C4'-P energy: -63.917 bonds (distance) P-C4' energy: -49.448 flat angles C4'-P-C4' energy: -67.389 flat angles P-C4'-P energy: -43.581 tors. eta vs tors. theta energy: -60.748 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: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -788.147077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.147077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.147077 (E_RNA) where: Base-Base interactions energy: -503.252 where: short stacking energy: -222.569 Base-Backbone interact. energy: 0.905 local terms energy: -285.800074 where: bonds (distance) C4'-P energy: -67.632 bonds (distance) P-C4' energy: -63.691 flat angles C4'-P-C4' energy: -68.143 flat angles P-C4'-P energy: -34.701 tors. eta vs tors. theta energy: -51.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -674.604936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.604936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.604936 (E_RNA) where: Base-Base interactions energy: -422.377 where: short stacking energy: -210.123 Base-Backbone interact. energy: 1.128 local terms energy: -253.355238 where: bonds (distance) C4'-P energy: -49.382 bonds (distance) P-C4' energy: -51.146 flat angles C4'-P-C4' energy: -68.627 flat angles P-C4'-P energy: -37.510 tors. eta vs tors. theta energy: -46.691 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: 6 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -497.752021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.752021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.752021 (E_RNA) where: Base-Base interactions energy: -283.702 where: short stacking energy: -135.543 Base-Backbone interact. energy: 0.258 local terms energy: -214.307626 where: bonds (distance) C4'-P energy: -48.286 bonds (distance) P-C4' energy: -68.544 flat angles C4'-P-C4' energy: -52.380 flat angles P-C4'-P energy: -32.500 tors. eta vs tors. theta energy: -12.598 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: 10, replica: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -385.287638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.287638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.287638 (E_RNA) where: Base-Base interactions energy: -202.316 where: short stacking energy: -106.203 Base-Backbone interact. energy: -2.322 local terms energy: -180.649924 where: bonds (distance) C4'-P energy: -59.002 bonds (distance) P-C4' energy: -55.056 flat angles C4'-P-C4' energy: -49.426 flat angles P-C4'-P energy: -19.056 tors. eta vs tors. theta energy: 1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1133.603923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.603923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.603923 (E_RNA) where: Base-Base interactions energy: -775.463 where: short stacking energy: -340.733 Base-Backbone interact. energy: -3.546 local terms energy: -354.594202 where: bonds (distance) C4'-P energy: -72.040 bonds (distance) P-C4' energy: -68.133 flat angles C4'-P-C4' energy: -72.530 flat angles P-C4'-P energy: -45.837 tors. eta vs tors. theta energy: -96.055 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: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1051.147543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.147543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.147543 (E_RNA) where: Base-Base interactions energy: -695.589 where: short stacking energy: -321.940 Base-Backbone interact. energy: -2.431 local terms energy: -353.127881 where: bonds (distance) C4'-P energy: -66.853 bonds (distance) P-C4' energy: -75.066 flat angles C4'-P-C4' energy: -78.179 flat angles P-C4'-P energy: -47.664 tors. eta vs tors. theta energy: -85.365 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: 8 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1018.798987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.798987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.798987 (E_RNA) where: Base-Base interactions energy: -671.861 where: short stacking energy: -305.393 Base-Backbone interact. energy: -1.439 local terms energy: -345.498281 where: bonds (distance) C4'-P energy: -73.215 bonds (distance) P-C4' energy: -57.358 flat angles C4'-P-C4' energy: -78.153 flat angles P-C4'-P energy: -47.427 tors. eta vs tors. theta energy: -89.345 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: 4, replica: 9 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -948.786178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.786178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.786178 (E_RNA) where: Base-Base interactions energy: -623.083 where: short stacking energy: -276.292 Base-Backbone interact. energy: -0.068 local terms energy: -325.634981 where: bonds (distance) C4'-P energy: -71.673 bonds (distance) P-C4' energy: -68.485 flat angles C4'-P-C4' energy: -76.653 flat angles P-C4'-P energy: -37.885 tors. eta vs tors. theta energy: -70.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -859.904431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.904431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.904431 (E_RNA) where: Base-Base interactions energy: -553.243 where: short stacking energy: -268.867 Base-Backbone interact. energy: -1.209 local terms energy: -305.452591 where: bonds (distance) C4'-P energy: -63.611 bonds (distance) P-C4' energy: -48.842 flat angles C4'-P-C4' energy: -76.594 flat angles P-C4'-P energy: -48.199 tors. eta vs tors. theta energy: -68.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -791.087581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.087581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.087581 (E_RNA) where: Base-Base interactions energy: -506.814 where: short stacking energy: -220.964 Base-Backbone interact. energy: -0.604 local terms energy: -283.669206 where: bonds (distance) C4'-P energy: -70.459 bonds (distance) P-C4' energy: -61.521 flat angles C4'-P-C4' energy: -69.953 flat angles P-C4'-P energy: -34.030 tors. eta vs tors. theta energy: -47.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -786.908882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.908882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.908882 (E_RNA) where: Base-Base interactions energy: -503.775 where: short stacking energy: -248.213 Base-Backbone interact. energy: -0.879 local terms energy: -282.255612 where: bonds (distance) C4'-P energy: -44.910 bonds (distance) P-C4' energy: -61.956 flat angles C4'-P-C4' energy: -65.362 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -62.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -662.542981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.542981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.542981 (E_RNA) where: Base-Base interactions energy: -411.297 where: short stacking energy: -200.797 Base-Backbone interact. energy: -0.376 local terms energy: -250.869865 where: bonds (distance) C4'-P energy: -53.751 bonds (distance) P-C4' energy: -61.719 flat angles C4'-P-C4' energy: -61.762 flat angles P-C4'-P energy: -41.436 tors. eta vs tors. theta energy: -32.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -547.103078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.103078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.103078 (E_RNA) where: Base-Base interactions energy: -329.366 where: short stacking energy: -164.956 Base-Backbone interact. energy: -1.184 local terms energy: -216.553160 where: bonds (distance) C4'-P energy: -45.007 bonds (distance) P-C4' energy: -56.185 flat angles C4'-P-C4' energy: -60.050 flat angles P-C4'-P energy: -27.483 tors. eta vs tors. theta energy: -27.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -349.010543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.010543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.010543 (E_RNA) where: Base-Base interactions energy: -177.591 where: short stacking energy: -102.916 Base-Backbone interact. energy: 3.493 local terms energy: -174.912218 where: bonds (distance) C4'-P energy: -49.570 bonds (distance) P-C4' energy: -48.116 flat angles C4'-P-C4' energy: -50.749 flat angles P-C4'-P energy: -34.316 tors. eta vs tors. theta energy: 7.840 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: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1158.394642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.394642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.394642 (E_RNA) where: Base-Base interactions energy: -805.689 where: short stacking energy: -362.113 Base-Backbone interact. energy: -2.204 local terms energy: -350.501688 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -64.913 flat angles C4'-P-C4' energy: -75.719 flat angles P-C4'-P energy: -46.855 tors. eta vs tors. theta energy: -103.800 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: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1040.687431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.687431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.687431 (E_RNA) where: Base-Base interactions energy: -695.377 where: short stacking energy: -304.306 Base-Backbone interact. energy: -1.446 local terms energy: -343.864508 where: bonds (distance) C4'-P energy: -76.086 bonds (distance) P-C4' energy: -62.501 flat angles C4'-P-C4' energy: -75.354 flat angles P-C4'-P energy: -50.388 tors. eta vs tors. theta energy: -79.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -999.887052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.887052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.887052 (E_RNA) where: Base-Base interactions energy: -669.366 where: short stacking energy: -315.639 Base-Backbone interact. energy: -2.322 local terms energy: -328.199572 where: bonds (distance) C4'-P energy: -61.516 bonds (distance) P-C4' energy: -67.076 flat angles C4'-P-C4' energy: -72.752 flat angles P-C4'-P energy: -43.053 tors. eta vs tors. theta energy: -83.802 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: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -897.245624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.245624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.245624 (E_RNA) where: Base-Base interactions energy: -588.621 where: short stacking energy: -272.125 Base-Backbone interact. energy: -1.480 local terms energy: -307.144686 where: bonds (distance) C4'-P energy: -62.024 bonds (distance) P-C4' energy: -66.342 flat angles C4'-P-C4' energy: -64.405 flat angles P-C4'-P energy: -49.714 tors. eta vs tors. theta energy: -64.660 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: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -854.797145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.797145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.797145 (E_RNA) where: Base-Base interactions energy: -569.265 where: short stacking energy: -263.506 Base-Backbone interact. energy: 0.047 local terms energy: -285.579171 where: bonds (distance) C4'-P energy: -60.273 bonds (distance) P-C4' energy: -63.003 flat angles C4'-P-C4' energy: -57.145 flat angles P-C4'-P energy: -46.490 tors. eta vs tors. theta energy: -58.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -855.098117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.098117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.098117 (E_RNA) where: Base-Base interactions energy: -568.772 where: short stacking energy: -270.071 Base-Backbone interact. energy: 0.974 local terms energy: -287.299651 where: bonds (distance) C4'-P energy: -52.422 bonds (distance) P-C4' energy: -65.945 flat angles C4'-P-C4' energy: -69.369 flat angles P-C4'-P energy: -32.712 tors. eta vs tors. theta energy: -66.852 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: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -717.556478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.556478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.556478 (E_RNA) where: Base-Base interactions energy: -457.790 where: short stacking energy: -199.273 Base-Backbone interact. energy: -1.999 local terms energy: -257.767132 where: bonds (distance) C4'-P energy: -63.433 bonds (distance) P-C4' energy: -53.438 flat angles C4'-P-C4' energy: -61.658 flat angles P-C4'-P energy: -42.190 tors. eta vs tors. theta energy: -37.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -538.015536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.015536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.015536 (E_RNA) where: Base-Base interactions energy: -308.364 where: short stacking energy: -168.689 Base-Backbone interact. energy: 0.868 local terms energy: -230.519472 where: bonds (distance) C4'-P energy: -62.838 bonds (distance) P-C4' energy: -52.365 flat angles C4'-P-C4' energy: -54.534 flat angles P-C4'-P energy: -25.602 tors. eta vs tors. theta energy: -35.181 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: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -617.232042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.232042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.232042 (E_RNA) where: Base-Base interactions energy: -389.138 where: short stacking energy: -179.697 Base-Backbone interact. energy: -1.900 local terms energy: -226.193729 where: bonds (distance) C4'-P energy: -58.871 bonds (distance) P-C4' energy: -56.016 flat angles C4'-P-C4' energy: -50.803 flat angles P-C4'-P energy: -30.629 tors. eta vs tors. theta energy: -29.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -283.805270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.805270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.805270 (E_RNA) where: Base-Base interactions energy: -126.792 where: short stacking energy: -90.476 Base-Backbone interact. energy: 4.630 local terms energy: -161.643313 where: bonds (distance) C4'-P energy: -51.684 bonds (distance) P-C4' energy: -58.604 flat angles C4'-P-C4' energy: -43.198 flat angles P-C4'-P energy: -18.578 tors. eta vs tors. theta energy: 10.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1129.968995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.968995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.968995 (E_RNA) where: Base-Base interactions energy: -748.475 where: short stacking energy: -336.100 Base-Backbone interact. energy: -2.615 local terms energy: -378.878804 where: bonds (distance) C4'-P energy: -63.474 bonds (distance) P-C4' energy: -75.918 flat angles C4'-P-C4' energy: -81.660 flat angles P-C4'-P energy: -58.719 tors. eta vs tors. theta energy: -99.107 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: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1046.505395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.505395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.505395 (E_RNA) where: Base-Base interactions energy: -705.713 where: short stacking energy: -320.589 Base-Backbone interact. energy: -0.251 local terms energy: -340.540919 where: bonds (distance) C4'-P energy: -62.546 bonds (distance) P-C4' energy: -75.627 flat angles C4'-P-C4' energy: -73.987 flat angles P-C4'-P energy: -40.833 tors. eta vs tors. theta energy: -87.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -987.663242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.663242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.663242 (E_RNA) where: Base-Base interactions energy: -663.383 where: short stacking energy: -297.600 Base-Backbone interact. energy: 1.410 local terms energy: -325.689807 where: bonds (distance) C4'-P energy: -70.299 bonds (distance) P-C4' energy: -70.911 flat angles C4'-P-C4' energy: -62.657 flat angles P-C4'-P energy: -39.867 tors. eta vs tors. theta energy: -81.955 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: 9 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -903.649451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.649451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.649451 (E_RNA) where: Base-Base interactions energy: -597.594 where: short stacking energy: -285.933 Base-Backbone interact. energy: -1.177 local terms energy: -304.878513 where: bonds (distance) C4'-P energy: -61.204 bonds (distance) P-C4' energy: -59.498 flat angles C4'-P-C4' energy: -64.350 flat angles P-C4'-P energy: -45.085 tors. eta vs tors. theta energy: -74.742 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: 180 Temperature: 1.100000 Total energy: -874.161248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.161248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.161248 (E_RNA) where: Base-Base interactions energy: -564.853 where: short stacking energy: -277.596 Base-Backbone interact. energy: 0.176 local terms energy: -309.485055 where: bonds (distance) C4'-P energy: -64.389 bonds (distance) P-C4' energy: -65.828 flat angles C4'-P-C4' energy: -62.918 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -71.796 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: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -843.536131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.536131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.536131 (E_RNA) where: Base-Base interactions energy: -538.959 where: short stacking energy: -258.931 Base-Backbone interact. energy: 0.916 local terms energy: -305.492504 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -55.311 flat angles C4'-P-C4' energy: -68.187 flat angles P-C4'-P energy: -47.006 tors. eta vs tors. theta energy: -64.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -686.288715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.288715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.288715 (E_RNA) where: Base-Base interactions energy: -426.222 where: short stacking energy: -190.240 Base-Backbone interact. energy: 0.799 local terms energy: -260.865697 where: bonds (distance) C4'-P energy: -59.486 bonds (distance) P-C4' energy: -67.369 flat angles C4'-P-C4' energy: -57.076 flat angles P-C4'-P energy: -32.899 tors. eta vs tors. theta energy: -44.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -559.320827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.320827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.320827 (E_RNA) where: Base-Base interactions energy: -313.723 where: short stacking energy: -164.964 Base-Backbone interact. energy: 1.142 local terms energy: -246.740630 where: bonds (distance) C4'-P energy: -65.016 bonds (distance) P-C4' energy: -51.804 flat angles C4'-P-C4' energy: -59.957 flat angles P-C4'-P energy: -37.120 tors. eta vs tors. theta energy: -32.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -627.166730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.166730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.166730 (E_RNA) where: Base-Base interactions energy: -393.143 where: short stacking energy: -180.231 Base-Backbone interact. energy: 0.864 local terms energy: -234.888490 where: bonds (distance) C4'-P energy: -48.969 bonds (distance) P-C4' energy: -52.542 flat angles C4'-P-C4' energy: -65.624 flat angles P-C4'-P energy: -34.287 tors. eta vs tors. theta energy: -33.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -304.719962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.719962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.719962 (E_RNA) where: Base-Base interactions energy: -119.713 where: short stacking energy: -79.482 Base-Backbone interact. energy: -1.293 local terms energy: -183.713195 where: bonds (distance) C4'-P energy: -61.079 bonds (distance) P-C4' energy: -49.934 flat angles C4'-P-C4' energy: -46.793 flat angles P-C4'-P energy: -30.571 tors. eta vs tors. theta energy: 4.664 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: 1, replica: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1136.151588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.151588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.151588 (E_RNA) where: Base-Base interactions energy: -761.657 where: short stacking energy: -333.614 Base-Backbone interact. energy: -3.855 local terms energy: -370.639620 where: bonds (distance) C4'-P energy: -78.685 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -75.784 flat angles P-C4'-P energy: -58.011 tors. eta vs tors. theta energy: -89.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1055.303018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.303018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.303018 (E_RNA) where: Base-Base interactions energy: -711.883 where: short stacking energy: -308.514 Base-Backbone interact. energy: 0.952 local terms energy: -344.371264 where: bonds (distance) C4'-P energy: -58.189 bonds (distance) P-C4' energy: -68.966 flat angles C4'-P-C4' energy: -79.596 flat angles P-C4'-P energy: -55.614 tors. eta vs tors. theta energy: -82.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1014.156151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.156151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.156151 (E_RNA) where: Base-Base interactions energy: -679.968 where: short stacking energy: -315.202 Base-Backbone interact. energy: -1.430 local terms energy: -332.757781 where: bonds (distance) C4'-P energy: -62.678 bonds (distance) P-C4' energy: -60.663 flat angles C4'-P-C4' energy: -78.045 flat angles P-C4'-P energy: -45.043 tors. eta vs tors. theta energy: -86.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -895.006686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.006686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.006686 (E_RNA) where: Base-Base interactions energy: -584.131 where: short stacking energy: -268.145 Base-Backbone interact. energy: -1.281 local terms energy: -309.594369 where: bonds (distance) C4'-P energy: -62.414 bonds (distance) P-C4' energy: -65.349 flat angles C4'-P-C4' energy: -68.370 flat angles P-C4'-P energy: -47.597 tors. eta vs tors. theta energy: -65.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -930.130741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.130741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.130741 (E_RNA) where: Base-Base interactions energy: -624.359 where: short stacking energy: -272.866 Base-Backbone interact. energy: -1.389 local terms energy: -304.382174 where: bonds (distance) C4'-P energy: -66.779 bonds (distance) P-C4' energy: -65.765 flat angles C4'-P-C4' energy: -69.055 flat angles P-C4'-P energy: -32.471 tors. eta vs tors. theta energy: -70.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -874.984372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.984372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.984372 (E_RNA) where: Base-Base interactions energy: -570.116 where: short stacking energy: -260.852 Base-Backbone interact. energy: -0.198 local terms energy: -304.670203 where: bonds (distance) C4'-P energy: -57.751 bonds (distance) P-C4' energy: -74.050 flat angles C4'-P-C4' energy: -75.773 flat angles P-C4'-P energy: -40.757 tors. eta vs tors. theta energy: -56.340 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: 181 Temperature: 1.200000 Total energy: -684.404066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.404066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.404066 (E_RNA) where: Base-Base interactions energy: -421.143 where: short stacking energy: -205.175 Base-Backbone interact. energy: 1.054 local terms energy: -264.314598 where: bonds (distance) C4'-P energy: -63.655 bonds (distance) P-C4' energy: -71.044 flat angles C4'-P-C4' energy: -50.410 flat angles P-C4'-P energy: -39.435 tors. eta vs tors. theta energy: -39.770 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: 8, replica: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -633.706136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.706136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.706136 (E_RNA) where: Base-Base interactions energy: -371.167 where: short stacking energy: -176.819 Base-Backbone interact. energy: -2.329 local terms energy: -260.210582 where: bonds (distance) C4'-P energy: -68.069 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -65.010 flat angles P-C4'-P energy: -35.866 tors. eta vs tors. theta energy: -26.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -515.304104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.304104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.304104 (E_RNA) where: Base-Base interactions energy: -292.385 where: short stacking energy: -150.403 Base-Backbone interact. energy: -0.861 local terms energy: -222.058138 where: bonds (distance) C4'-P energy: -54.138 bonds (distance) P-C4' energy: -71.283 flat angles C4'-P-C4' energy: -39.499 flat angles P-C4'-P energy: -33.717 tors. eta vs tors. theta energy: -23.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -285.031577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.031577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.031577 (E_RNA) where: Base-Base interactions energy: -112.171 where: short stacking energy: -89.944 Base-Backbone interact. energy: 4.297 local terms energy: -177.157974 where: bonds (distance) C4'-P energy: -47.717 bonds (distance) P-C4' energy: -53.690 flat angles C4'-P-C4' energy: -57.101 flat angles P-C4'-P energy: -26.020 tors. eta vs tors. theta energy: 7.370 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: 4 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1147.040796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.040796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.040796 (E_RNA) where: Base-Base interactions energy: -782.048 where: short stacking energy: -351.430 Base-Backbone interact. energy: -1.141 local terms energy: -363.852182 where: bonds (distance) C4'-P energy: -67.931 bonds (distance) P-C4' energy: -68.990 flat angles C4'-P-C4' energy: -75.981 flat angles P-C4'-P energy: -51.108 tors. eta vs tors. theta energy: -99.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1063.006905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.006905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.006905 (E_RNA) where: Base-Base interactions energy: -710.331 where: short stacking energy: -323.005 Base-Backbone interact. energy: -0.166 local terms energy: -352.510192 where: bonds (distance) C4'-P energy: -60.155 bonds (distance) P-C4' energy: -70.041 flat angles C4'-P-C4' energy: -80.068 flat angles P-C4'-P energy: -50.080 tors. eta vs tors. theta energy: -92.167 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: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1042.926287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.926287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.926287 (E_RNA) where: Base-Base interactions energy: -703.682 where: short stacking energy: -317.375 Base-Backbone interact. energy: 0.454 local terms energy: -339.698064 where: bonds (distance) C4'-P energy: -74.011 bonds (distance) P-C4' energy: -67.205 flat angles C4'-P-C4' energy: -72.532 flat angles P-C4'-P energy: -37.212 tors. eta vs tors. theta energy: -88.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -892.335826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.335826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.335826 (E_RNA) where: Base-Base interactions energy: -562.581 where: short stacking energy: -276.994 Base-Backbone interact. energy: 2.994 local terms energy: -332.748221 where: bonds (distance) C4'-P energy: -68.630 bonds (distance) P-C4' energy: -73.051 flat angles C4'-P-C4' energy: -73.116 flat angles P-C4'-P energy: -51.781 tors. eta vs tors. theta energy: -66.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -887.487947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.487947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.487947 (E_RNA) where: Base-Base interactions energy: -555.291 where: short stacking energy: -243.823 Base-Backbone interact. energy: -0.555 local terms energy: -331.642697 where: bonds (distance) C4'-P energy: -77.814 bonds (distance) P-C4' energy: -75.697 flat angles C4'-P-C4' energy: -68.600 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: -55.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -858.631878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.631878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.631878 (E_RNA) where: Base-Base interactions energy: -550.988 where: short stacking energy: -265.931 Base-Backbone interact. energy: -0.603 local terms energy: -307.040170 where: bonds (distance) C4'-P energy: -60.407 bonds (distance) P-C4' energy: -62.155 flat angles C4'-P-C4' energy: -75.875 flat angles P-C4'-P energy: -41.307 tors. eta vs tors. theta energy: -67.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -749.176283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.176283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.176283 (E_RNA) where: Base-Base interactions energy: -465.018 where: short stacking energy: -229.961 Base-Backbone interact. energy: 5.078 local terms energy: -289.236113 where: bonds (distance) C4'-P energy: -58.330 bonds (distance) P-C4' energy: -66.984 flat angles C4'-P-C4' energy: -60.689 flat angles P-C4'-P energy: -50.070 tors. eta vs tors. theta energy: -53.163 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: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -656.776686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.776686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.776686 (E_RNA) where: Base-Base interactions energy: -400.424 where: short stacking energy: -171.663 Base-Backbone interact. energy: 3.200 local terms energy: -259.553501 where: bonds (distance) C4'-P energy: -58.949 bonds (distance) P-C4' energy: -67.025 flat angles C4'-P-C4' energy: -66.446 flat angles P-C4'-P energy: -36.174 tors. eta vs tors. theta energy: -30.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -545.962753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.962753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.962753 (E_RNA) where: Base-Base interactions energy: -325.305 where: short stacking energy: -179.891 Base-Backbone interact. energy: 0.059 local terms energy: -220.717053 where: bonds (distance) C4'-P energy: -59.446 bonds (distance) P-C4' energy: -50.469 flat angles C4'-P-C4' energy: -55.291 flat angles P-C4'-P energy: -26.729 tors. eta vs tors. theta energy: -28.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -301.973123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.973123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.973123 (E_RNA) where: Base-Base interactions energy: -123.205 where: short stacking energy: -98.636 Base-Backbone interact. energy: 5.044 local terms energy: -183.812140 where: bonds (distance) C4'-P energy: -59.006 bonds (distance) P-C4' energy: -59.537 flat angles C4'-P-C4' energy: -40.739 flat angles P-C4'-P energy: -27.627 tors. eta vs tors. theta energy: 3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1146.397825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.397825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.397825 (E_RNA) where: Base-Base interactions energy: -777.483 where: short stacking energy: -341.764 Base-Backbone interact. energy: -4.020 local terms energy: -364.894214 where: bonds (distance) C4'-P energy: -69.187 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -75.555 flat angles P-C4'-P energy: -54.965 tors. eta vs tors. theta energy: -98.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1062.937039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.937039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.937039 (E_RNA) where: Base-Base interactions energy: -723.317 where: short stacking energy: -317.917 Base-Backbone interact. energy: -2.678 local terms energy: -336.942034 where: bonds (distance) C4'-P energy: -67.859 bonds (distance) P-C4' energy: -68.762 flat angles C4'-P-C4' energy: -70.268 flat angles P-C4'-P energy: -49.196 tors. eta vs tors. theta energy: -80.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -998.008993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.008993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.008993 (E_RNA) where: Base-Base interactions energy: -649.481 where: short stacking energy: -306.383 Base-Backbone interact. energy: 0.281 local terms energy: -348.808681 where: bonds (distance) C4'-P energy: -64.712 bonds (distance) P-C4' energy: -80.102 flat angles C4'-P-C4' energy: -73.175 flat angles P-C4'-P energy: -47.442 tors. eta vs tors. theta energy: -83.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -869.544063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.544063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.544063 (E_RNA) where: Base-Base interactions energy: -573.156 where: short stacking energy: -266.320 Base-Backbone interact. energy: 1.232 local terms energy: -297.620129 where: bonds (distance) C4'-P energy: -52.067 bonds (distance) P-C4' energy: -65.201 flat angles C4'-P-C4' energy: -75.570 flat angles P-C4'-P energy: -49.284 tors. eta vs tors. theta energy: -55.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -909.336414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.336414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.336414 (E_RNA) where: Base-Base interactions energy: -570.642 where: short stacking energy: -272.473 Base-Backbone interact. energy: 0.260 local terms energy: -338.953518 where: bonds (distance) C4'-P energy: -66.678 bonds (distance) P-C4' energy: -63.508 flat angles C4'-P-C4' energy: -73.015 flat angles P-C4'-P energy: -54.517 tors. eta vs tors. theta energy: -81.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -869.051170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.051170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.051170 (E_RNA) where: Base-Base interactions energy: -558.835 where: short stacking energy: -274.225 Base-Backbone interact. energy: 3.484 local terms energy: -313.699292 where: bonds (distance) C4'-P energy: -52.387 bonds (distance) P-C4' energy: -67.191 flat angles C4'-P-C4' energy: -67.207 flat angles P-C4'-P energy: -48.406 tors. eta vs tors. theta energy: -78.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -693.906064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.906064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.906064 (E_RNA) where: Base-Base interactions energy: -438.801 where: short stacking energy: -197.727 Base-Backbone interact. energy: 2.201 local terms energy: -257.305871 where: bonds (distance) C4'-P energy: -52.925 bonds (distance) P-C4' energy: -69.594 flat angles C4'-P-C4' energy: -62.352 flat angles P-C4'-P energy: -34.663 tors. eta vs tors. theta energy: -37.772 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: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -635.069121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.069121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.069121 (E_RNA) where: Base-Base interactions energy: -377.326 where: short stacking energy: -173.880 Base-Backbone interact. energy: -0.706 local terms energy: -257.037033 where: bonds (distance) C4'-P energy: -58.264 bonds (distance) P-C4' energy: -64.096 flat angles C4'-P-C4' energy: -63.926 flat angles P-C4'-P energy: -43.328 tors. eta vs tors. theta energy: -27.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -553.525160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.525160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.525160 (E_RNA) where: Base-Base interactions energy: -309.933 where: short stacking energy: -172.497 Base-Backbone interact. energy: -0.772 local terms energy: -242.820136 where: bonds (distance) C4'-P energy: -54.090 bonds (distance) P-C4' energy: -63.219 flat angles C4'-P-C4' energy: -56.975 flat angles P-C4'-P energy: -32.893 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: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -286.963761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.963761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.963761 (E_RNA) where: Base-Base interactions energy: -123.237 where: short stacking energy: -105.045 Base-Backbone interact. energy: -0.928 local terms energy: -162.798678 where: bonds (distance) C4'-P energy: -40.031 bonds (distance) P-C4' energy: -53.743 flat angles C4'-P-C4' energy: -54.481 flat angles P-C4'-P energy: -14.791 tors. eta vs tors. theta energy: 0.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1141.358541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.358541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.358541 (E_RNA) where: Base-Base interactions energy: -763.204 where: short stacking energy: -352.449 Base-Backbone interact. energy: -2.776 local terms energy: -375.378114 where: bonds (distance) C4'-P energy: -74.071 bonds (distance) P-C4' energy: -72.800 flat angles C4'-P-C4' energy: -75.343 flat angles P-C4'-P energy: -51.053 tors. eta vs tors. theta energy: -102.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1044.486106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.486106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.486106 (E_RNA) where: Base-Base interactions energy: -696.819 where: short stacking energy: -294.638 Base-Backbone interact. energy: -2.518 local terms energy: -345.149070 where: bonds (distance) C4'-P energy: -70.236 bonds (distance) P-C4' energy: -70.235 flat angles C4'-P-C4' energy: -72.728 flat angles P-C4'-P energy: -47.950 tors. eta vs tors. theta energy: -83.999 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: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1012.172081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.172081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.172081 (E_RNA) where: Base-Base interactions energy: -663.969 where: short stacking energy: -315.135 Base-Backbone interact. energy: -1.420 local terms energy: -346.782526 where: bonds (distance) C4'-P energy: -70.529 bonds (distance) P-C4' energy: -72.938 flat angles C4'-P-C4' energy: -71.788 flat angles P-C4'-P energy: -39.634 tors. eta vs tors. theta energy: -91.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -899.662583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.662583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.662583 (E_RNA) where: Base-Base interactions energy: -592.074 where: short stacking energy: -273.362 Base-Backbone interact. energy: -2.558 local terms energy: -305.030632 where: bonds (distance) C4'-P energy: -57.092 bonds (distance) P-C4' energy: -71.156 flat angles C4'-P-C4' energy: -65.291 flat angles P-C4'-P energy: -42.226 tors. eta vs tors. theta energy: -69.265 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: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -868.417252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.417252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.417252 (E_RNA) where: Base-Base interactions energy: -547.332 where: short stacking energy: -257.728 Base-Backbone interact. energy: -2.375 local terms energy: -318.710205 where: bonds (distance) C4'-P energy: -64.066 bonds (distance) P-C4' energy: -72.541 flat angles C4'-P-C4' energy: -70.813 flat angles P-C4'-P energy: -46.524 tors. eta vs tors. theta energy: -64.767 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: 10 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -876.850375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.850375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.850375 (E_RNA) where: Base-Base interactions energy: -561.601 where: short stacking energy: -279.899 Base-Backbone interact. energy: -0.109 local terms energy: -315.141104 where: bonds (distance) C4'-P energy: -64.545 bonds (distance) P-C4' energy: -59.325 flat angles C4'-P-C4' energy: -74.869 flat angles P-C4'-P energy: -49.874 tors. eta vs tors. theta energy: -66.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -752.277387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.277387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.277387 (E_RNA) where: Base-Base interactions energy: -494.545 where: short stacking energy: -222.528 Base-Backbone interact. energy: -2.752 local terms energy: -254.980238 where: bonds (distance) C4'-P energy: -53.179 bonds (distance) P-C4' energy: -51.253 flat angles C4'-P-C4' energy: -54.299 flat angles P-C4'-P energy: -40.176 tors. eta vs tors. theta energy: -56.073 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: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -644.810884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.810884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.810884 (E_RNA) where: Base-Base interactions energy: -407.924 where: short stacking energy: -201.562 Base-Backbone interact. energy: -1.202 local terms energy: -235.684139 where: bonds (distance) C4'-P energy: -59.685 bonds (distance) P-C4' energy: -54.403 flat angles C4'-P-C4' energy: -41.913 flat angles P-C4'-P energy: -36.421 tors. eta vs tors. theta energy: -43.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -536.258109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.258109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.258109 (E_RNA) where: Base-Base interactions energy: -312.338 where: short stacking energy: -143.747 Base-Backbone interact. energy: -1.116 local terms energy: -222.803914 where: bonds (distance) C4'-P energy: -54.908 bonds (distance) P-C4' energy: -61.670 flat angles C4'-P-C4' energy: -56.191 flat angles P-C4'-P energy: -36.415 tors. eta vs tors. theta energy: -13.620 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: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -315.236703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.236703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.236703 (E_RNA) where: Base-Base interactions energy: -134.681 where: short stacking energy: -106.609 Base-Backbone interact. energy: -0.454 local terms energy: -180.101696 where: bonds (distance) C4'-P energy: -50.013 bonds (distance) P-C4' energy: -59.975 flat angles C4'-P-C4' energy: -49.511 flat angles P-C4'-P energy: -27.160 tors. eta vs tors. theta energy: 6.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1136.246260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.246260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.246260 (E_RNA) where: Base-Base interactions energy: -759.257 where: short stacking energy: -350.334 Base-Backbone interact. energy: -1.928 local terms energy: -375.061332 where: bonds (distance) C4'-P energy: -69.713 bonds (distance) P-C4' energy: -72.602 flat angles C4'-P-C4' energy: -83.364 flat angles P-C4'-P energy: -50.797 tors. eta vs tors. theta energy: -98.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1068.422116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.422116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.422116 (E_RNA) where: Base-Base interactions energy: -720.179 where: short stacking energy: -294.721 Base-Backbone interact. energy: -2.056 local terms energy: -346.187609 where: bonds (distance) C4'-P energy: -66.708 bonds (distance) P-C4' energy: -77.628 flat angles C4'-P-C4' energy: -78.214 flat angles P-C4'-P energy: -43.505 tors. eta vs tors. theta energy: -80.132 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: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -993.770260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.770260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.770260 (E_RNA) where: Base-Base interactions energy: -655.602 where: short stacking energy: -296.443 Base-Backbone interact. energy: -0.683 local terms energy: -337.484929 where: bonds (distance) C4'-P energy: -65.071 bonds (distance) P-C4' energy: -66.404 flat angles C4'-P-C4' energy: -74.609 flat angles P-C4'-P energy: -49.011 tors. eta vs tors. theta energy: -82.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -933.342648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.342648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.342648 (E_RNA) where: Base-Base interactions energy: -597.438 where: short stacking energy: -289.692 Base-Backbone interact. energy: -2.517 local terms energy: -333.387626 where: bonds (distance) C4'-P energy: -65.680 bonds (distance) P-C4' energy: -74.767 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -79.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -874.314935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.314935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.314935 (E_RNA) where: Base-Base interactions energy: -577.413 where: short stacking energy: -253.591 Base-Backbone interact. energy: -1.215 local terms energy: -295.687006 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -65.343 flat angles C4'-P-C4' energy: -60.641 flat angles P-C4'-P energy: -39.953 tors. eta vs tors. theta energy: -71.302 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: 6, replica: 10 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -860.716535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.716535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.716535 (E_RNA) where: Base-Base interactions energy: -563.095 where: short stacking energy: -269.696 Base-Backbone interact. energy: -0.374 local terms energy: -297.248206 where: bonds (distance) C4'-P energy: -46.805 bonds (distance) P-C4' energy: -55.818 flat angles C4'-P-C4' energy: -69.529 flat angles P-C4'-P energy: -52.711 tors. eta vs tors. theta energy: -72.385 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: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -741.205635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.205635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.205635 (E_RNA) where: Base-Base interactions energy: -479.861 where: short stacking energy: -216.191 Base-Backbone interact. energy: 0.284 local terms energy: -261.629143 where: bonds (distance) C4'-P energy: -61.635 bonds (distance) P-C4' energy: -62.056 flat angles C4'-P-C4' energy: -52.699 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -41.997 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: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -638.609337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.609337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.609337 (E_RNA) where: Base-Base interactions energy: -393.366 where: short stacking energy: -203.462 Base-Backbone interact. energy: 0.310 local terms energy: -245.553662 where: bonds (distance) C4'-P energy: -58.880 bonds (distance) P-C4' energy: -57.024 flat angles C4'-P-C4' energy: -57.640 flat angles P-C4'-P energy: -41.584 tors. eta vs tors. theta energy: -30.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -522.484907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.484907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.484907 (E_RNA) where: Base-Base interactions energy: -306.475 where: short stacking energy: -171.793 Base-Backbone interact. energy: -0.838 local terms energy: -215.172375 where: bonds (distance) C4'-P energy: -52.868 bonds (distance) P-C4' energy: -55.810 flat angles C4'-P-C4' energy: -48.052 flat angles P-C4'-P energy: -36.863 tors. eta vs tors. theta energy: -21.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -342.551676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.551676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.551676 (E_RNA) where: Base-Base interactions energy: -133.899 where: short stacking energy: -104.169 Base-Backbone interact. energy: 1.246 local terms energy: -209.898048 where: bonds (distance) C4'-P energy: -60.937 bonds (distance) P-C4' energy: -70.021 flat angles C4'-P-C4' energy: -50.787 flat angles P-C4'-P energy: -26.281 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1093.077339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.077339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.077339 (E_RNA) where: Base-Base interactions energy: -751.453 where: short stacking energy: -323.571 Base-Backbone interact. energy: -3.029 local terms energy: -338.595720 where: bonds (distance) C4'-P energy: -63.272 bonds (distance) P-C4' energy: -68.077 flat angles C4'-P-C4' energy: -79.053 flat angles P-C4'-P energy: -49.901 tors. eta vs tors. theta energy: -78.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1096.747204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.747204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.747204 (E_RNA) where: Base-Base interactions energy: -730.468 where: short stacking energy: -341.003 Base-Backbone interact. energy: -2.896 local terms energy: -363.383146 where: bonds (distance) C4'-P energy: -62.617 bonds (distance) P-C4' energy: -74.078 flat angles C4'-P-C4' energy: -71.880 flat angles P-C4'-P energy: -55.914 tors. eta vs tors. theta energy: -98.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -980.506925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.506925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.506925 (E_RNA) where: Base-Base interactions energy: -649.191 where: short stacking energy: -316.404 Base-Backbone interact. energy: -1.330 local terms energy: -329.986172 where: bonds (distance) C4'-P energy: -55.708 bonds (distance) P-C4' energy: -67.928 flat angles C4'-P-C4' energy: -75.946 flat angles P-C4'-P energy: -38.138 tors. eta vs tors. theta energy: -92.266 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: 186 Temperature: 1.050000 Total energy: -933.940661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.940661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.940661 (E_RNA) where: Base-Base interactions energy: -616.791 where: short stacking energy: -288.382 Base-Backbone interact. energy: 0.211 local terms energy: -317.360418 where: bonds (distance) C4'-P energy: -68.415 bonds (distance) P-C4' energy: -60.058 flat angles C4'-P-C4' energy: -72.994 flat angles P-C4'-P energy: -49.368 tors. eta vs tors. theta energy: -66.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -865.766739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.766739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.766739 (E_RNA) where: Base-Base interactions energy: -581.972 where: short stacking energy: -284.854 Base-Backbone interact. energy: -0.859 local terms energy: -282.935425 where: bonds (distance) C4'-P energy: -41.075 bonds (distance) P-C4' energy: -45.519 flat angles C4'-P-C4' energy: -70.588 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: -78.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -839.668598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.668598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.668598 (E_RNA) where: Base-Base interactions energy: -539.863 where: short stacking energy: -253.417 Base-Backbone interact. energy: 1.471 local terms energy: -301.276961 where: bonds (distance) C4'-P energy: -66.712 bonds (distance) P-C4' energy: -59.748 flat angles C4'-P-C4' energy: -63.004 flat angles P-C4'-P energy: -47.052 tors. eta vs tors. theta energy: -64.761 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: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -740.241739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.241739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.241739 (E_RNA) where: Base-Base interactions energy: -483.635 where: short stacking energy: -216.492 Base-Backbone interact. energy: -1.480 local terms energy: -255.126497 where: bonds (distance) C4'-P energy: -47.829 bonds (distance) P-C4' energy: -62.010 flat angles C4'-P-C4' energy: -64.625 flat angles P-C4'-P energy: -22.133 tors. eta vs tors. theta energy: -58.530 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: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -580.895190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.895190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.895190 (E_RNA) where: Base-Base interactions energy: -338.508 where: short stacking energy: -183.037 Base-Backbone interact. energy: 2.238 local terms energy: -244.625001 where: bonds (distance) C4'-P energy: -61.902 bonds (distance) P-C4' energy: -54.347 flat angles C4'-P-C4' energy: -56.625 flat angles P-C4'-P energy: -43.980 tors. eta vs tors. theta energy: -27.771 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: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -573.383482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.383482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.383482 (E_RNA) where: Base-Base interactions energy: -333.363 where: short stacking energy: -176.162 Base-Backbone interact. energy: -0.565 local terms energy: -239.455058 where: bonds (distance) C4'-P energy: -62.654 bonds (distance) P-C4' energy: -54.282 flat angles C4'-P-C4' energy: -55.860 flat angles P-C4'-P energy: -30.743 tors. eta vs tors. theta energy: -35.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -373.457629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.457629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.457629 (E_RNA) where: Base-Base interactions energy: -194.598 where: short stacking energy: -110.469 Base-Backbone interact. energy: 0.644 local terms energy: -179.504328 where: bonds (distance) C4'-P energy: -52.598 bonds (distance) P-C4' energy: -48.537 flat angles C4'-P-C4' energy: -47.940 flat angles P-C4'-P energy: -32.092 tors. eta vs tors. theta energy: 1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1085.206964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.206964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.206964 (E_RNA) where: Base-Base interactions energy: -750.177 where: short stacking energy: -318.985 Base-Backbone interact. energy: -2.485 local terms energy: -332.544874 where: bonds (distance) C4'-P energy: -59.853 bonds (distance) P-C4' energy: -68.212 flat angles C4'-P-C4' energy: -78.658 flat angles P-C4'-P energy: -44.764 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: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1096.541434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.541434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.541434 (E_RNA) where: Base-Base interactions energy: -735.007 where: short stacking energy: -345.409 Base-Backbone interact. energy: -1.037 local terms energy: -360.498118 where: bonds (distance) C4'-P energy: -71.589 bonds (distance) P-C4' energy: -58.337 flat angles C4'-P-C4' energy: -77.590 flat angles P-C4'-P energy: -58.728 tors. eta vs tors. theta energy: -94.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -992.919730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.919730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.919730 (E_RNA) where: Base-Base interactions energy: -660.704 where: short stacking energy: -320.231 Base-Backbone interact. energy: -1.036 local terms energy: -331.179288 where: bonds (distance) C4'-P energy: -58.909 bonds (distance) P-C4' energy: -73.587 flat angles C4'-P-C4' energy: -71.598 flat angles P-C4'-P energy: -42.101 tors. eta vs tors. theta energy: -84.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -908.482619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.482619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.482619 (E_RNA) where: Base-Base interactions energy: -580.508 where: short stacking energy: -285.233 Base-Backbone interact. energy: 0.558 local terms energy: -328.532629 where: bonds (distance) C4'-P energy: -59.902 bonds (distance) P-C4' energy: -63.285 flat angles C4'-P-C4' energy: -73.825 flat angles P-C4'-P energy: -53.512 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: 5, replica: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -871.616968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.616968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.616968 (E_RNA) where: Base-Base interactions energy: -570.233 where: short stacking energy: -283.098 Base-Backbone interact. energy: -0.866 local terms energy: -300.518553 where: bonds (distance) C4'-P energy: -58.696 bonds (distance) P-C4' energy: -63.175 flat angles C4'-P-C4' energy: -54.674 flat angles P-C4'-P energy: -42.045 tors. eta vs tors. theta energy: -81.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -794.570039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.570039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.570039 (E_RNA) where: Base-Base interactions energy: -508.524 where: short stacking energy: -224.326 Base-Backbone interact. energy: -0.143 local terms energy: -285.903177 where: bonds (distance) C4'-P energy: -66.040 bonds (distance) P-C4' energy: -65.658 flat angles C4'-P-C4' energy: -67.867 flat angles P-C4'-P energy: -38.344 tors. eta vs tors. theta energy: -47.995 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: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -688.454340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.454340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.454340 (E_RNA) where: Base-Base interactions energy: -442.977 where: short stacking energy: -183.730 Base-Backbone interact. energy: -1.717 local terms energy: -243.760371 where: bonds (distance) C4'-P energy: -55.888 bonds (distance) P-C4' energy: -57.439 flat angles C4'-P-C4' energy: -62.891 flat angles P-C4'-P energy: -36.184 tors. eta vs tors. theta energy: -31.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -582.746039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.746039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.746039 (E_RNA) where: Base-Base interactions energy: -325.709 where: short stacking energy: -171.147 Base-Backbone interact. energy: -0.908 local terms energy: -256.129312 where: bonds (distance) C4'-P energy: -66.995 bonds (distance) P-C4' energy: -70.372 flat angles C4'-P-C4' energy: -55.933 flat angles P-C4'-P energy: -38.685 tors. eta vs tors. theta energy: -24.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -530.396041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.396041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.396041 (E_RNA) where: Base-Base interactions energy: -304.239 where: short stacking energy: -156.411 Base-Backbone interact. energy: -0.780 local terms energy: -225.377068 where: bonds (distance) C4'-P energy: -48.771 bonds (distance) P-C4' energy: -58.812 flat angles C4'-P-C4' energy: -54.976 flat angles P-C4'-P energy: -29.028 tors. eta vs tors. theta energy: -33.790 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: 187 Temperature: 1.350000 Total energy: -274.405713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.405713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.405713 (E_RNA) where: Base-Base interactions energy: -99.026 where: short stacking energy: -83.502 Base-Backbone interact. energy: -1.120 local terms energy: -174.260062 where: bonds (distance) C4'-P energy: -54.090 bonds (distance) P-C4' energy: -51.358 flat angles C4'-P-C4' energy: -46.497 flat angles P-C4'-P energy: -28.113 tors. eta vs tors. theta energy: 5.799 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: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1112.143226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.143226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.143226 (E_RNA) where: Base-Base interactions energy: -747.269 where: short stacking energy: -336.448 Base-Backbone interact. energy: -1.560 local terms energy: -363.314661 where: bonds (distance) C4'-P energy: -71.152 bonds (distance) P-C4' energy: -71.586 flat angles C4'-P-C4' energy: -73.235 flat angles P-C4'-P energy: -51.029 tors. eta vs tors. theta energy: -96.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1059.890857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.890857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.890857 (E_RNA) where: Base-Base interactions energy: -726.123 where: short stacking energy: -306.602 Base-Backbone interact. energy: -2.275 local terms energy: -331.492493 where: bonds (distance) C4'-P energy: -60.097 bonds (distance) P-C4' energy: -72.985 flat angles C4'-P-C4' energy: -75.528 flat angles P-C4'-P energy: -42.405 tors. eta vs tors. theta energy: -80.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1004.974916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.974916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.974916 (E_RNA) where: Base-Base interactions energy: -668.959 where: short stacking energy: -324.985 Base-Backbone interact. energy: 1.034 local terms energy: -337.049803 where: bonds (distance) C4'-P energy: -61.827 bonds (distance) P-C4' energy: -68.067 flat angles C4'-P-C4' energy: -69.648 flat angles P-C4'-P energy: -51.496 tors. eta vs tors. theta energy: -86.012 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: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -890.293631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.293631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.293631 (E_RNA) where: Base-Base interactions energy: -576.443 where: short stacking energy: -271.725 Base-Backbone interact. energy: -0.458 local terms energy: -313.393252 where: bonds (distance) C4'-P energy: -59.078 bonds (distance) P-C4' energy: -68.146 flat angles C4'-P-C4' energy: -74.816 flat angles P-C4'-P energy: -33.301 tors. eta vs tors. theta energy: -78.052 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: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -860.991831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.991831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.991831 (E_RNA) where: Base-Base interactions energy: -564.993 where: short stacking energy: -266.162 Base-Backbone interact. energy: -1.275 local terms energy: -294.723670 where: bonds (distance) C4'-P energy: -45.558 bonds (distance) P-C4' energy: -70.663 flat angles C4'-P-C4' energy: -71.386 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -62.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -811.041542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.041542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.041542 (E_RNA) where: Base-Base interactions energy: -529.883 where: short stacking energy: -242.947 Base-Backbone interact. energy: -1.423 local terms energy: -279.734699 where: bonds (distance) C4'-P energy: -53.345 bonds (distance) P-C4' energy: -72.797 flat angles C4'-P-C4' energy: -71.951 flat angles P-C4'-P energy: -30.549 tors. eta vs tors. theta energy: -51.092 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: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -706.224341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.224341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.224341 (E_RNA) where: Base-Base interactions energy: -445.636 where: short stacking energy: -196.315 Base-Backbone interact. energy: -1.257 local terms energy: -259.331617 where: bonds (distance) C4'-P energy: -54.513 bonds (distance) P-C4' energy: -65.500 flat angles C4'-P-C4' energy: -58.582 flat angles P-C4'-P energy: -37.156 tors. eta vs tors. theta energy: -43.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -579.132169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.132169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.132169 (E_RNA) where: Base-Base interactions energy: -339.719 where: short stacking energy: -171.610 Base-Backbone interact. energy: -1.675 local terms energy: -237.738184 where: bonds (distance) C4'-P energy: -57.082 bonds (distance) P-C4' energy: -67.468 flat angles C4'-P-C4' energy: -50.271 flat angles P-C4'-P energy: -37.669 tors. eta vs tors. theta energy: -25.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -548.247264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.247264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.247264 (E_RNA) where: Base-Base interactions energy: -316.084 where: short stacking energy: -163.427 Base-Backbone interact. energy: 1.663 local terms energy: -233.826062 where: bonds (distance) C4'-P energy: -52.206 bonds (distance) P-C4' energy: -52.921 flat angles C4'-P-C4' energy: -63.949 flat angles P-C4'-P energy: -39.041 tors. eta vs tors. theta energy: -25.709 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: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -289.809127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.809127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.809127 (E_RNA) where: Base-Base interactions energy: -100.788 where: short stacking energy: -66.618 Base-Backbone interact. energy: 5.416 local terms energy: -194.437683 where: bonds (distance) C4'-P energy: -61.253 bonds (distance) P-C4' energy: -70.605 flat angles C4'-P-C4' energy: -46.239 flat angles P-C4'-P energy: -34.956 tors. eta vs tors. theta energy: 18.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1135.601801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.601801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.601801 (E_RNA) where: Base-Base interactions energy: -758.912 where: short stacking energy: -355.139 Base-Backbone interact. energy: -1.964 local terms energy: -374.725853 where: bonds (distance) C4'-P energy: -69.632 bonds (distance) P-C4' energy: -60.298 flat angles C4'-P-C4' energy: -82.990 flat angles P-C4'-P energy: -50.982 tors. eta vs tors. theta energy: -110.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1070.252630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.252630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.252630 (E_RNA) where: Base-Base interactions energy: -747.196 where: short stacking energy: -322.221 Base-Backbone interact. energy: -1.507 local terms energy: -321.549332 where: bonds (distance) C4'-P energy: -63.123 bonds (distance) P-C4' energy: -67.982 flat angles C4'-P-C4' energy: -69.862 flat angles P-C4'-P energy: -37.824 tors. eta vs tors. theta energy: -82.759 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: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -961.412176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.412176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.412176 (E_RNA) where: Base-Base interactions energy: -635.938 where: short stacking energy: -298.363 Base-Backbone interact. energy: -0.197 local terms energy: -325.277149 where: bonds (distance) C4'-P energy: -71.013 bonds (distance) P-C4' energy: -68.010 flat angles C4'-P-C4' energy: -64.386 flat angles P-C4'-P energy: -48.312 tors. eta vs tors. theta energy: -73.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -896.823803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.823803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.823803 (E_RNA) where: Base-Base interactions energy: -598.535 where: short stacking energy: -295.860 Base-Backbone interact. energy: -1.126 local terms energy: -297.162794 where: bonds (distance) C4'-P energy: -54.352 bonds (distance) P-C4' energy: -68.636 flat angles C4'-P-C4' energy: -59.396 flat angles P-C4'-P energy: -39.790 tors. eta vs tors. theta energy: -74.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -846.822391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.822391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.822391 (E_RNA) where: Base-Base interactions energy: -540.861 where: short stacking energy: -257.101 Base-Backbone interact. energy: 3.520 local terms energy: -309.481612 where: bonds (distance) C4'-P energy: -71.010 bonds (distance) P-C4' energy: -66.649 flat angles C4'-P-C4' energy: -70.724 flat angles P-C4'-P energy: -38.826 tors. eta vs tors. theta energy: -62.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -820.098734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.098734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.098734 (E_RNA) where: Base-Base interactions energy: -519.971 where: short stacking energy: -238.426 Base-Backbone interact. energy: -0.599 local terms energy: -299.529225 where: bonds (distance) C4'-P energy: -61.047 bonds (distance) P-C4' energy: -75.700 flat angles C4'-P-C4' energy: -68.058 flat angles P-C4'-P energy: -36.085 tors. eta vs tors. theta energy: -58.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -715.504531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.504531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.504531 (E_RNA) where: Base-Base interactions energy: -476.543 where: short stacking energy: -190.870 Base-Backbone interact. energy: 3.518 local terms energy: -242.479634 where: bonds (distance) C4'-P energy: -52.729 bonds (distance) P-C4' energy: -53.169 flat angles C4'-P-C4' energy: -57.822 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -40.329 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: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -573.078047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.078047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.078047 (E_RNA) where: Base-Base interactions energy: -373.539 where: short stacking energy: -195.222 Base-Backbone interact. energy: -0.548 local terms energy: -198.991402 where: bonds (distance) C4'-P energy: -41.691 bonds (distance) P-C4' energy: -51.772 flat angles C4'-P-C4' energy: -67.623 flat angles P-C4'-P energy: -22.496 tors. eta vs tors. theta energy: -15.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -535.135899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.135899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.135899 (E_RNA) where: Base-Base interactions energy: -317.132 where: short stacking energy: -153.256 Base-Backbone interact. energy: -1.051 local terms energy: -216.953393 where: bonds (distance) C4'-P energy: -45.952 bonds (distance) P-C4' energy: -50.117 flat angles C4'-P-C4' energy: -60.570 flat angles P-C4'-P energy: -40.192 tors. eta vs tors. theta energy: -20.122 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: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -308.387974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.387974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.387974 (E_RNA) where: Base-Base interactions energy: -109.454 where: short stacking energy: -102.323 Base-Backbone interact. energy: -0.636 local terms energy: -198.298437 where: bonds (distance) C4'-P energy: -58.331 bonds (distance) P-C4' energy: -61.905 flat angles C4'-P-C4' energy: -55.020 flat angles P-C4'-P energy: -24.015 tors. eta vs tors. theta energy: 0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1165.072775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.072775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.072775 (E_RNA) where: Base-Base interactions energy: -786.827 where: short stacking energy: -362.173 Base-Backbone interact. energy: -1.369 local terms energy: -376.876668 where: bonds (distance) C4'-P energy: -69.902 bonds (distance) P-C4' energy: -74.771 flat angles C4'-P-C4' energy: -74.331 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -106.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1033.728593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.728593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.728593 (E_RNA) where: Base-Base interactions energy: -699.085 where: short stacking energy: -280.221 Base-Backbone interact. energy: -1.766 local terms energy: -332.877776 where: bonds (distance) C4'-P energy: -66.279 bonds (distance) P-C4' energy: -72.214 flat angles C4'-P-C4' energy: -77.248 flat angles P-C4'-P energy: -50.855 tors. eta vs tors. theta energy: -66.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1001.932960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.932960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.932960 (E_RNA) where: Base-Base interactions energy: -671.112 where: short stacking energy: -304.539 Base-Backbone interact. energy: 5.030 local terms energy: -335.850874 where: bonds (distance) C4'-P energy: -65.933 bonds (distance) P-C4' energy: -66.913 flat angles C4'-P-C4' energy: -73.759 flat angles P-C4'-P energy: -49.352 tors. eta vs tors. theta energy: -79.894 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: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -882.637019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.637019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.637019 (E_RNA) where: Base-Base interactions energy: -567.895 where: short stacking energy: -257.011 Base-Backbone interact. energy: -2.034 local terms energy: -312.707477 where: bonds (distance) C4'-P energy: -60.487 bonds (distance) P-C4' energy: -68.901 flat angles C4'-P-C4' energy: -75.697 flat angles P-C4'-P energy: -42.689 tors. eta vs tors. theta energy: -64.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -862.564060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.564060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.564060 (E_RNA) where: Base-Base interactions energy: -557.096 where: short stacking energy: -270.436 Base-Backbone interact. energy: -1.337 local terms energy: -304.131245 where: bonds (distance) C4'-P energy: -55.199 bonds (distance) P-C4' energy: -62.831 flat angles C4'-P-C4' energy: -79.855 flat angles P-C4'-P energy: -36.464 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: 6, replica: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -850.380552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.380552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.380552 (E_RNA) where: Base-Base interactions energy: -544.786 where: short stacking energy: -266.599 Base-Backbone interact. energy: -0.615 local terms energy: -304.978901 where: bonds (distance) C4'-P energy: -66.691 bonds (distance) P-C4' energy: -56.833 flat angles C4'-P-C4' energy: -66.276 flat angles P-C4'-P energy: -49.774 tors. eta vs tors. theta energy: -65.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -671.778123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.778123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.778123 (E_RNA) where: Base-Base interactions energy: -422.271 where: short stacking energy: -197.118 Base-Backbone interact. energy: 2.563 local terms energy: -252.069873 where: bonds (distance) C4'-P energy: -55.968 bonds (distance) P-C4' energy: -66.814 flat angles C4'-P-C4' energy: -61.084 flat angles P-C4'-P energy: -42.963 tors. eta vs tors. theta energy: -25.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -559.384743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.384743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.384743 (E_RNA) where: Base-Base interactions energy: -332.689 where: short stacking energy: -160.087 Base-Backbone interact. energy: -1.334 local terms energy: -225.362632 where: bonds (distance) C4'-P energy: -61.697 bonds (distance) P-C4' energy: -62.988 flat angles C4'-P-C4' energy: -48.394 flat angles P-C4'-P energy: -31.862 tors. eta vs tors. theta energy: -20.422 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: 6 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -517.576651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.576651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.576651 (E_RNA) where: Base-Base interactions energy: -292.197 where: short stacking energy: -159.389 Base-Backbone interact. energy: -0.710 local terms energy: -224.669801 where: bonds (distance) C4'-P energy: -61.926 bonds (distance) P-C4' energy: -55.616 flat angles C4'-P-C4' energy: -46.497 flat angles P-C4'-P energy: -33.519 tors. eta vs tors. theta energy: -27.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -289.991078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.991078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.991078 (E_RNA) where: Base-Base interactions energy: -95.677 where: short stacking energy: -80.759 Base-Backbone interact. energy: -0.041 local terms energy: -194.272866 where: bonds (distance) C4'-P energy: -51.562 bonds (distance) P-C4' energy: -49.436 flat angles C4'-P-C4' energy: -49.851 flat angles P-C4'-P energy: -36.530 tors. eta vs tors. theta energy: -6.893 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: 4 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1159.890447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.890447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.890447 (E_RNA) where: Base-Base interactions energy: -771.224 where: short stacking energy: -356.398 Base-Backbone interact. energy: -2.877 local terms energy: -385.789979 where: bonds (distance) C4'-P energy: -68.984 bonds (distance) P-C4' energy: -73.465 flat angles C4'-P-C4' energy: -79.567 flat angles P-C4'-P energy: -51.269 tors. eta vs tors. theta energy: -112.505 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: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1058.923843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.923843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.923843 (E_RNA) where: Base-Base interactions energy: -723.600 where: short stacking energy: -333.428 Base-Backbone interact. energy: -2.418 local terms energy: -332.905260 where: bonds (distance) C4'-P energy: -61.148 bonds (distance) P-C4' energy: -73.528 flat angles C4'-P-C4' energy: -73.225 flat angles P-C4'-P energy: -41.513 tors. eta vs tors. theta energy: -83.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -984.796085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.796085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.796085 (E_RNA) where: Base-Base interactions energy: -661.613 where: short stacking energy: -312.560 Base-Backbone interact. energy: -0.399 local terms energy: -322.784624 where: bonds (distance) C4'-P energy: -58.990 bonds (distance) P-C4' energy: -65.520 flat angles C4'-P-C4' energy: -75.496 flat angles P-C4'-P energy: -34.775 tors. eta vs tors. theta energy: -88.003 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: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -906.463945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.463945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.463945 (E_RNA) where: Base-Base interactions energy: -607.429 where: short stacking energy: -274.626 Base-Backbone interact. energy: 2.104 local terms energy: -301.138473 where: bonds (distance) C4'-P energy: -69.014 bonds (distance) P-C4' energy: -59.535 flat angles C4'-P-C4' energy: -72.145 flat angles P-C4'-P energy: -40.983 tors. eta vs tors. theta energy: -59.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -870.303663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.303663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.303663 (E_RNA) where: Base-Base interactions energy: -566.140 where: short stacking energy: -260.442 Base-Backbone interact. energy: 0.606 local terms energy: -304.769883 where: bonds (distance) C4'-P energy: -49.435 bonds (distance) P-C4' energy: -72.014 flat angles C4'-P-C4' energy: -71.081 flat angles P-C4'-P energy: -41.145 tors. eta vs tors. theta energy: -71.095 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: 6, replica: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -884.089030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.089030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.089030 (E_RNA) where: Base-Base interactions energy: -595.565 where: short stacking energy: -281.259 Base-Backbone interact. energy: 0.190 local terms energy: -288.714091 where: bonds (distance) C4'-P energy: -61.019 bonds (distance) P-C4' energy: -53.032 flat angles C4'-P-C4' energy: -54.345 flat angles P-C4'-P energy: -48.429 tors. eta vs tors. theta energy: -71.890 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: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -671.280426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.280426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.280426 (E_RNA) where: Base-Base interactions energy: -424.591 where: short stacking energy: -180.611 Base-Backbone interact. energy: -0.481 local terms energy: -246.208136 where: bonds (distance) C4'-P energy: -47.637 bonds (distance) P-C4' energy: -57.825 flat angles C4'-P-C4' energy: -67.510 flat angles P-C4'-P energy: -41.191 tors. eta vs tors. theta energy: -32.045 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: 8, replica: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -544.441427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.441427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.441427 (E_RNA) where: Base-Base interactions energy: -305.990 where: short stacking energy: -140.251 Base-Backbone interact. energy: -1.293 local terms energy: -237.158785 where: bonds (distance) C4'-P energy: -55.363 bonds (distance) P-C4' energy: -70.467 flat angles C4'-P-C4' energy: -53.574 flat angles P-C4'-P energy: -35.538 tors. eta vs tors. theta energy: -22.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -529.888660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.888660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.888660 (E_RNA) where: Base-Base interactions energy: -304.767 where: short stacking energy: -157.195 Base-Backbone interact. energy: -0.762 local terms energy: -224.359629 where: bonds (distance) C4'-P energy: -63.893 bonds (distance) P-C4' energy: -61.601 flat angles C4'-P-C4' energy: -47.761 flat angles P-C4'-P energy: -39.607 tors. eta vs tors. theta energy: -11.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -307.550701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.550701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.550701 (E_RNA) where: Base-Base interactions energy: -102.525 where: short stacking energy: -81.487 Base-Backbone interact. energy: -0.179 local terms energy: -204.846832 where: bonds (distance) C4'-P energy: -49.312 bonds (distance) P-C4' energy: -68.998 flat angles C4'-P-C4' energy: -59.738 flat angles P-C4'-P energy: -31.892 tors. eta vs tors. theta energy: 5.094 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: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1152.224059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.224059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.224059 (E_RNA) where: Base-Base interactions energy: -788.203 where: short stacking energy: -359.232 Base-Backbone interact. energy: -0.768 local terms energy: -363.252722 where: bonds (distance) C4'-P energy: -66.547 bonds (distance) P-C4' energy: -68.962 flat angles C4'-P-C4' energy: -77.631 flat angles P-C4'-P energy: -46.069 tors. eta vs tors. theta energy: -104.044 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: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1059.256536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.256536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.256536 (E_RNA) where: Base-Base interactions energy: -710.489 where: short stacking energy: -310.714 Base-Backbone interact. energy: -2.532 local terms energy: -346.235183 where: bonds (distance) C4'-P energy: -71.986 bonds (distance) P-C4' energy: -60.590 flat angles C4'-P-C4' energy: -77.969 flat angles P-C4'-P energy: -56.671 tors. eta vs tors. theta energy: -79.020 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: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1011.769170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.769170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.769170 (E_RNA) where: Base-Base interactions energy: -670.563 where: short stacking energy: -309.898 Base-Backbone interact. energy: -0.959 local terms energy: -340.247528 where: bonds (distance) C4'-P energy: -59.703 bonds (distance) P-C4' energy: -68.117 flat angles C4'-P-C4' energy: -78.832 flat angles P-C4'-P energy: -47.846 tors. eta vs tors. theta energy: -85.749 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: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -909.685931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.685931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.685931 (E_RNA) where: Base-Base interactions energy: -598.305 where: short stacking energy: -275.947 Base-Backbone interact. energy: -0.936 local terms energy: -310.444630 where: bonds (distance) C4'-P energy: -61.133 bonds (distance) P-C4' energy: -67.620 flat angles C4'-P-C4' energy: -68.413 flat angles P-C4'-P energy: -43.803 tors. eta vs tors. theta energy: -69.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -873.990413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.990413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.990413 (E_RNA) where: Base-Base interactions energy: -575.423 where: short stacking energy: -280.727 Base-Backbone interact. energy: 1.053 local terms energy: -299.619613 where: bonds (distance) C4'-P energy: -58.392 bonds (distance) P-C4' energy: -60.105 flat angles C4'-P-C4' energy: -67.547 flat angles P-C4'-P energy: -44.358 tors. eta vs tors. theta energy: -69.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -888.715240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.715240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.715240 (E_RNA) where: Base-Base interactions energy: -575.326 where: short stacking energy: -270.019 Base-Backbone interact. energy: -0.659 local terms energy: -312.729969 where: bonds (distance) C4'-P energy: -66.101 bonds (distance) P-C4' energy: -67.276 flat angles C4'-P-C4' energy: -60.668 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -71.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -647.276181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.276181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.276181 (E_RNA) where: Base-Base interactions energy: -390.528 where: short stacking energy: -181.794 Base-Backbone interact. energy: -0.956 local terms energy: -255.792744 where: bonds (distance) C4'-P energy: -59.800 bonds (distance) P-C4' energy: -58.731 flat angles C4'-P-C4' energy: -67.171 flat angles P-C4'-P energy: -35.181 tors. eta vs tors. theta energy: -34.910 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: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -595.783714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.783714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.783714 (E_RNA) where: Base-Base interactions energy: -366.954 where: short stacking energy: -166.049 Base-Backbone interact. energy: -0.448 local terms energy: -228.381949 where: bonds (distance) C4'-P energy: -51.043 bonds (distance) P-C4' energy: -58.221 flat angles C4'-P-C4' energy: -57.521 flat angles P-C4'-P energy: -34.922 tors. eta vs tors. theta energy: -26.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -525.709985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.709985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.709985 (E_RNA) where: Base-Base interactions energy: -291.164 where: short stacking energy: -155.972 Base-Backbone interact. energy: -0.782 local terms energy: -233.763473 where: bonds (distance) C4'-P energy: -44.977 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -58.385 flat angles P-C4'-P energy: -38.272 tors. eta vs tors. theta energy: -32.459 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: 192 Temperature: 1.350000 Total energy: -347.759136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.759136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.759136 (E_RNA) where: Base-Base interactions energy: -156.896 where: short stacking energy: -102.722 Base-Backbone interact. energy: 2.907 local terms energy: -193.770228 where: bonds (distance) C4'-P energy: -59.656 bonds (distance) P-C4' energy: -61.374 flat angles C4'-P-C4' energy: -46.603 flat angles P-C4'-P energy: -27.283 tors. eta vs tors. theta energy: 1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1149.019172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.019172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.019172 (E_RNA) where: Base-Base interactions energy: -759.354 where: short stacking energy: -359.105 Base-Backbone interact. energy: -1.553 local terms energy: -388.111668 where: bonds (distance) C4'-P energy: -69.211 bonds (distance) P-C4' energy: -78.656 flat angles C4'-P-C4' energy: -76.544 flat angles P-C4'-P energy: -57.924 tors. eta vs tors. theta energy: -105.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1041.612914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.612914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.612914 (E_RNA) where: Base-Base interactions energy: -702.233 where: short stacking energy: -306.696 Base-Backbone interact. energy: -2.738 local terms energy: -336.642324 where: bonds (distance) C4'-P energy: -63.726 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -73.951 flat angles P-C4'-P energy: -54.646 tors. eta vs tors. theta energy: -82.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1025.044558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.044558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.044558 (E_RNA) where: Base-Base interactions energy: -681.388 where: short stacking energy: -314.309 Base-Backbone interact. energy: -0.445 local terms energy: -343.211020 where: bonds (distance) C4'-P energy: -74.059 bonds (distance) P-C4' energy: -66.253 flat angles C4'-P-C4' energy: -74.176 flat angles P-C4'-P energy: -43.225 tors. eta vs tors. theta energy: -85.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -900.870045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.870045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.870045 (E_RNA) where: Base-Base interactions energy: -586.724 where: short stacking energy: -273.041 Base-Backbone interact. energy: -0.606 local terms energy: -313.540408 where: bonds (distance) C4'-P energy: -54.336 bonds (distance) P-C4' energy: -72.952 flat angles C4'-P-C4' energy: -69.406 flat angles P-C4'-P energy: -43.355 tors. eta vs tors. theta energy: -73.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -850.424863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.424863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.424863 (E_RNA) where: Base-Base interactions energy: -533.168 where: short stacking energy: -252.131 Base-Backbone interact. energy: -1.097 local terms energy: -316.159180 where: bonds (distance) C4'-P energy: -71.701 bonds (distance) P-C4' energy: -61.310 flat angles C4'-P-C4' energy: -72.033 flat angles P-C4'-P energy: -52.398 tors. eta vs tors. theta energy: -58.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -872.553350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.553350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.553350 (E_RNA) where: Base-Base interactions energy: -572.775 where: short stacking energy: -274.281 Base-Backbone interact. energy: -0.213 local terms energy: -299.565567 where: bonds (distance) C4'-P energy: -63.360 bonds (distance) P-C4' energy: -55.376 flat angles C4'-P-C4' energy: -71.517 flat angles P-C4'-P energy: -47.548 tors. eta vs tors. theta energy: -61.764 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: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -722.451995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.451995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.451995 (E_RNA) where: Base-Base interactions energy: -456.299 where: short stacking energy: -208.467 Base-Backbone interact. energy: -0.736 local terms energy: -265.416848 where: bonds (distance) C4'-P energy: -61.466 bonds (distance) P-C4' energy: -57.677 flat angles C4'-P-C4' energy: -67.497 flat angles P-C4'-P energy: -36.551 tors. eta vs tors. theta energy: -42.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -619.341879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.341879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.341879 (E_RNA) where: Base-Base interactions energy: -375.998 where: short stacking energy: -175.464 Base-Backbone interact. energy: -1.505 local terms energy: -241.838689 where: bonds (distance) C4'-P energy: -60.828 bonds (distance) P-C4' energy: -55.191 flat angles C4'-P-C4' energy: -58.750 flat angles P-C4'-P energy: -33.257 tors. eta vs tors. theta energy: -33.814 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: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -521.414841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.414841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.414841 (E_RNA) where: Base-Base interactions energy: -274.976 where: short stacking energy: -149.511 Base-Backbone interact. energy: -0.946 local terms energy: -245.493096 where: bonds (distance) C4'-P energy: -55.343 bonds (distance) P-C4' energy: -61.429 flat angles C4'-P-C4' energy: -55.843 flat angles P-C4'-P energy: -43.737 tors. eta vs tors. theta energy: -29.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -391.383380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.383380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.383380 (E_RNA) where: Base-Base interactions energy: -203.998 where: short stacking energy: -111.535 Base-Backbone interact. energy: 1.523 local terms energy: -188.908602 where: bonds (distance) C4'-P energy: -57.716 bonds (distance) P-C4' energy: -56.737 flat angles C4'-P-C4' energy: -52.266 flat angles P-C4'-P energy: -18.422 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1142.652515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.652515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.652515 (E_RNA) where: Base-Base interactions energy: -773.762 where: short stacking energy: -349.835 Base-Backbone interact. energy: -1.335 local terms energy: -367.555415 where: bonds (distance) C4'-P energy: -61.008 bonds (distance) P-C4' energy: -71.208 flat angles C4'-P-C4' energy: -78.009 flat angles P-C4'-P energy: -51.724 tors. eta vs tors. theta energy: -105.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1064.880126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.880126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.880126 (E_RNA) where: Base-Base interactions energy: -731.925 where: short stacking energy: -312.996 Base-Backbone interact. energy: -0.449 local terms energy: -332.506789 where: bonds (distance) C4'-P energy: -62.305 bonds (distance) P-C4' energy: -71.725 flat angles C4'-P-C4' energy: -73.880 flat angles P-C4'-P energy: -40.317 tors. eta vs tors. theta energy: -84.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -991.041550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.041550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.041550 (E_RNA) where: Base-Base interactions energy: -656.241 where: short stacking energy: -308.456 Base-Backbone interact. energy: 0.130 local terms energy: -334.930758 where: bonds (distance) C4'-P energy: -65.978 bonds (distance) P-C4' energy: -64.630 flat angles C4'-P-C4' energy: -77.465 flat angles P-C4'-P energy: -50.047 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: 4, replica: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -879.314788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.314788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.314788 (E_RNA) where: Base-Base interactions energy: -561.728 where: short stacking energy: -278.434 Base-Backbone interact. energy: 0.442 local terms energy: -318.029273 where: bonds (distance) C4'-P energy: -65.839 bonds (distance) P-C4' energy: -70.135 flat angles C4'-P-C4' energy: -69.189 flat angles P-C4'-P energy: -43.178 tors. eta vs tors. theta energy: -69.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -906.288547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.288547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.288547 (E_RNA) where: Base-Base interactions energy: -606.112 where: short stacking energy: -307.655 Base-Backbone interact. energy: -0.147 local terms energy: -300.029969 where: bonds (distance) C4'-P energy: -65.931 bonds (distance) P-C4' energy: -54.833 flat angles C4'-P-C4' energy: -70.516 flat angles P-C4'-P energy: -35.353 tors. eta vs tors. theta energy: -73.397 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: 194 Temperature: 1.150000 Total energy: -834.997574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.997574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.997574 (E_RNA) where: Base-Base interactions energy: -563.163 where: short stacking energy: -278.722 Base-Backbone interact. energy: 3.226 local terms energy: -275.060673 where: bonds (distance) C4'-P energy: -48.389 bonds (distance) P-C4' energy: -67.546 flat angles C4'-P-C4' energy: -54.293 flat angles P-C4'-P energy: -40.776 tors. eta vs tors. theta energy: -64.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -744.123547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.123547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.123547 (E_RNA) where: Base-Base interactions energy: -485.230 where: short stacking energy: -223.164 Base-Backbone interact. energy: -1.448 local terms energy: -257.445667 where: bonds (distance) C4'-P energy: -66.407 bonds (distance) P-C4' energy: -63.395 flat angles C4'-P-C4' energy: -62.909 flat angles P-C4'-P energy: -27.487 tors. eta vs tors. theta energy: -37.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -599.770350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.770350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.770350 (E_RNA) where: Base-Base interactions energy: -373.525 where: short stacking energy: -186.747 Base-Backbone interact. energy: -1.722 local terms energy: -224.523961 where: bonds (distance) C4'-P energy: -53.538 bonds (distance) P-C4' energy: -57.314 flat angles C4'-P-C4' energy: -42.625 flat angles P-C4'-P energy: -40.979 tors. eta vs tors. theta energy: -30.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -510.999748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.999748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.999748 (E_RNA) where: Base-Base interactions energy: -281.470 where: short stacking energy: -163.826 Base-Backbone interact. energy: -0.778 local terms energy: -228.751689 where: bonds (distance) C4'-P energy: -50.518 bonds (distance) P-C4' energy: -59.053 flat angles C4'-P-C4' energy: -53.774 flat angles P-C4'-P energy: -40.227 tors. eta vs tors. theta energy: -25.179 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: 194 Temperature: 1.350000 Total energy: -368.482586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.482586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.482586 (E_RNA) where: Base-Base interactions energy: -177.610 where: short stacking energy: -102.157 Base-Backbone interact. energy: -1.152 local terms energy: -189.720744 where: bonds (distance) C4'-P energy: -51.213 bonds (distance) P-C4' energy: -60.726 flat angles C4'-P-C4' energy: -35.815 flat angles P-C4'-P energy: -36.825 tors. eta vs tors. theta energy: -5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1133.698207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.698207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.698207 (E_RNA) where: Base-Base interactions energy: -769.935 where: short stacking energy: -335.819 Base-Backbone interact. energy: 0.240 local terms energy: -364.003628 where: bonds (distance) C4'-P energy: -68.917 bonds (distance) P-C4' energy: -59.937 flat angles C4'-P-C4' energy: -81.684 flat angles P-C4'-P energy: -55.375 tors. eta vs tors. theta energy: -98.090 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: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1070.919071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.919071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.919071 (E_RNA) where: Base-Base interactions energy: -743.905 where: short stacking energy: -327.165 Base-Backbone interact. energy: -2.145 local terms energy: -324.868762 where: bonds (distance) C4'-P energy: -60.653 bonds (distance) P-C4' energy: -65.176 flat angles C4'-P-C4' energy: -71.149 flat angles P-C4'-P energy: -45.606 tors. eta vs tors. theta energy: -82.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -989.324219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.324219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.324219 (E_RNA) where: Base-Base interactions energy: -650.936 where: short stacking energy: -308.080 Base-Backbone interact. energy: -0.973 local terms energy: -337.415114 where: bonds (distance) C4'-P energy: -67.813 bonds (distance) P-C4' energy: -64.369 flat angles C4'-P-C4' energy: -77.903 flat angles P-C4'-P energy: -54.643 tors. eta vs tors. theta energy: -72.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -915.201920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.201920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.201920 (E_RNA) where: Base-Base interactions energy: -594.142 where: short stacking energy: -305.475 Base-Backbone interact. energy: 0.122 local terms energy: -321.181839 where: bonds (distance) C4'-P energy: -66.275 bonds (distance) P-C4' energy: -62.525 flat angles C4'-P-C4' energy: -70.786 flat angles P-C4'-P energy: -39.179 tors. eta vs tors. theta energy: -82.416 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: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -842.522200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.522200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.522200 (E_RNA) where: Base-Base interactions energy: -550.649 where: short stacking energy: -257.962 Base-Backbone interact. energy: 0.095 local terms energy: -291.968103 where: bonds (distance) C4'-P energy: -48.947 bonds (distance) P-C4' energy: -58.665 flat angles C4'-P-C4' energy: -66.219 flat angles P-C4'-P energy: -48.276 tors. eta vs tors. theta energy: -69.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -897.122222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.122222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.122222 (E_RNA) where: Base-Base interactions energy: -642.836 where: short stacking energy: -286.178 Base-Backbone interact. energy: 0.507 local terms energy: -254.792914 where: bonds (distance) C4'-P energy: -51.059 bonds (distance) P-C4' energy: -41.915 flat angles C4'-P-C4' energy: -65.487 flat angles P-C4'-P energy: -38.733 tors. eta vs tors. theta energy: -57.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -719.306736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.306736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.306736 (E_RNA) where: Base-Base interactions energy: -469.290 where: short stacking energy: -215.277 Base-Backbone interact. energy: -1.129 local terms energy: -248.888192 where: bonds (distance) C4'-P energy: -67.060 bonds (distance) P-C4' energy: -58.735 flat angles C4'-P-C4' energy: -57.031 flat angles P-C4'-P energy: -28.348 tors. eta vs tors. theta energy: -37.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -606.719211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.719211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.719211 (E_RNA) where: Base-Base interactions energy: -349.796 where: short stacking energy: -177.265 Base-Backbone interact. energy: 1.146 local terms energy: -258.068658 where: bonds (distance) C4'-P energy: -62.960 bonds (distance) P-C4' energy: -66.508 flat angles C4'-P-C4' energy: -51.934 flat angles P-C4'-P energy: -42.681 tors. eta vs tors. theta energy: -33.985 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: 6 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -493.570308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.570308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.570308 (E_RNA) where: Base-Base interactions energy: -265.704 where: short stacking energy: -148.271 Base-Backbone interact. energy: 2.049 local terms energy: -229.915359 where: bonds (distance) C4'-P energy: -59.196 bonds (distance) P-C4' energy: -59.214 flat angles C4'-P-C4' energy: -59.421 flat angles P-C4'-P energy: -32.475 tors. eta vs tors. theta energy: -19.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -399.139724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.139724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.139724 (E_RNA) where: Base-Base interactions energy: -193.782 where: short stacking energy: -127.956 Base-Backbone interact. energy: -0.045 local terms energy: -205.311924 where: bonds (distance) C4'-P energy: -56.740 bonds (distance) P-C4' energy: -61.751 flat angles C4'-P-C4' energy: -54.447 flat angles P-C4'-P energy: -18.102 tors. eta vs tors. theta energy: -14.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1141.365334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.365334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.365334 (E_RNA) where: Base-Base interactions energy: -769.241 where: short stacking energy: -344.415 Base-Backbone interact. energy: -3.519 local terms energy: -368.605538 where: bonds (distance) C4'-P energy: -74.433 bonds (distance) P-C4' energy: -70.561 flat angles C4'-P-C4' energy: -73.145 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: -96.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1046.874149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.874149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.874149 (E_RNA) where: Base-Base interactions energy: -708.542 where: short stacking energy: -302.200 Base-Backbone interact. energy: -0.447 local terms energy: -337.884630 where: bonds (distance) C4'-P energy: -72.717 bonds (distance) P-C4' energy: -70.437 flat angles C4'-P-C4' energy: -67.840 flat angles P-C4'-P energy: -43.983 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: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1013.094057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.094057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.094057 (E_RNA) where: Base-Base interactions energy: -676.069 where: short stacking energy: -317.541 Base-Backbone interact. energy: -1.482 local terms energy: -335.543296 where: bonds (distance) C4'-P energy: -62.122 bonds (distance) P-C4' energy: -61.213 flat angles C4'-P-C4' energy: -73.479 flat angles P-C4'-P energy: -49.770 tors. eta vs tors. theta energy: -88.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -938.038082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.038082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.038082 (E_RNA) where: Base-Base interactions energy: -599.592 where: short stacking energy: -301.578 Base-Backbone interact. energy: -0.942 local terms energy: -337.503516 where: bonds (distance) C4'-P energy: -55.013 bonds (distance) P-C4' energy: -74.804 flat angles C4'-P-C4' energy: -68.413 flat angles P-C4'-P energy: -56.001 tors. eta vs tors. theta energy: -83.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -905.531501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.531501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.531501 (E_RNA) where: Base-Base interactions energy: -606.100 where: short stacking energy: -275.849 Base-Backbone interact. energy: 0.390 local terms energy: -299.822047 where: bonds (distance) C4'-P energy: -65.803 bonds (distance) P-C4' energy: -66.565 flat angles C4'-P-C4' energy: -62.989 flat angles P-C4'-P energy: -43.180 tors. eta vs tors. theta energy: -61.285 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: 196 Temperature: 1.150000 Total energy: -805.825589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.825589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.825589 (E_RNA) where: Base-Base interactions energy: -540.272 where: short stacking energy: -242.773 Base-Backbone interact. energy: -1.371 local terms energy: -264.181896 where: bonds (distance) C4'-P energy: -44.872 bonds (distance) P-C4' energy: -57.341 flat angles C4'-P-C4' energy: -70.313 flat angles P-C4'-P energy: -32.974 tors. eta vs tors. theta energy: -58.681 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: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -748.700028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.700028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.700028 (E_RNA) where: Base-Base interactions energy: -473.857 where: short stacking energy: -211.770 Base-Backbone interact. energy: -0.864 local terms energy: -273.979246 where: bonds (distance) C4'-P energy: -49.331 bonds (distance) P-C4' energy: -64.919 flat angles C4'-P-C4' energy: -66.439 flat angles P-C4'-P energy: -42.322 tors. eta vs tors. theta energy: -50.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -624.252641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.252641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.252641 (E_RNA) where: Base-Base interactions energy: -379.186 where: short stacking energy: -205.240 Base-Backbone interact. energy: -0.559 local terms energy: -244.506886 where: bonds (distance) C4'-P energy: -52.257 bonds (distance) P-C4' energy: -67.202 flat angles C4'-P-C4' energy: -56.635 flat angles P-C4'-P energy: -28.563 tors. eta vs tors. theta energy: -39.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -467.303420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.303420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.303420 (E_RNA) where: Base-Base interactions energy: -258.150 where: short stacking energy: -135.703 Base-Backbone interact. energy: -1.982 local terms energy: -207.172154 where: bonds (distance) C4'-P energy: -55.233 bonds (distance) P-C4' energy: -69.904 flat angles C4'-P-C4' energy: -41.706 flat angles P-C4'-P energy: -32.693 tors. eta vs tors. theta energy: -7.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -382.185548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.185548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.185548 (E_RNA) where: Base-Base interactions energy: -175.396 where: short stacking energy: -104.742 Base-Backbone interact. energy: -0.755 local terms energy: -206.033978 where: bonds (distance) C4'-P energy: -62.079 bonds (distance) P-C4' energy: -56.622 flat angles C4'-P-C4' energy: -45.459 flat angles P-C4'-P energy: -45.785 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: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1136.415125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.415125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.415125 (E_RNA) where: Base-Base interactions energy: -753.530 where: short stacking energy: -348.059 Base-Backbone interact. energy: -1.336 local terms energy: -381.549273 where: bonds (distance) C4'-P energy: -68.131 bonds (distance) P-C4' energy: -73.795 flat angles C4'-P-C4' energy: -81.805 flat angles P-C4'-P energy: -60.450 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: 2, replica: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1083.095982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.095982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.095982 (E_RNA) where: Base-Base interactions energy: -736.124 where: short stacking energy: -334.259 Base-Backbone interact. energy: -0.638 local terms energy: -346.334882 where: bonds (distance) C4'-P energy: -65.660 bonds (distance) P-C4' energy: -73.700 flat angles C4'-P-C4' energy: -73.334 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -85.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -991.329194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.329194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.329194 (E_RNA) where: Base-Base interactions energy: -659.264 where: short stacking energy: -305.346 Base-Backbone interact. energy: -2.004 local terms energy: -330.062022 where: bonds (distance) C4'-P energy: -56.383 bonds (distance) P-C4' energy: -68.617 flat angles C4'-P-C4' energy: -70.299 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -90.656 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: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -940.080041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.080041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.080041 (E_RNA) where: Base-Base interactions energy: -605.557 where: short stacking energy: -308.646 Base-Backbone interact. energy: -0.761 local terms energy: -333.762718 where: bonds (distance) C4'-P energy: -72.327 bonds (distance) P-C4' energy: -60.656 flat angles C4'-P-C4' energy: -74.207 flat angles P-C4'-P energy: -42.496 tors. eta vs tors. theta energy: -84.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -906.846392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.846392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.846392 (E_RNA) where: Base-Base interactions energy: -606.010 where: short stacking energy: -274.418 Base-Backbone interact. energy: 5.215 local terms energy: -306.051319 where: bonds (distance) C4'-P energy: -60.415 bonds (distance) P-C4' energy: -66.843 flat angles C4'-P-C4' energy: -68.397 flat angles P-C4'-P energy: -43.740 tors. eta vs tors. theta energy: -66.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -827.013379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.013379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.013379 (E_RNA) where: Base-Base interactions energy: -537.208 where: short stacking energy: -226.531 Base-Backbone interact. energy: -2.552 local terms energy: -287.253381 where: bonds (distance) C4'-P energy: -68.255 bonds (distance) P-C4' energy: -62.963 flat angles C4'-P-C4' energy: -62.781 flat angles P-C4'-P energy: -41.813 tors. eta vs tors. theta energy: -51.442 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: 197 Temperature: 1.200000 Total energy: -767.088433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.088433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.088433 (E_RNA) where: Base-Base interactions energy: -478.198 where: short stacking energy: -216.541 Base-Backbone interact. energy: 0.509 local terms energy: -289.399168 where: bonds (distance) C4'-P energy: -55.631 bonds (distance) P-C4' energy: -66.900 flat angles C4'-P-C4' energy: -64.314 flat angles P-C4'-P energy: -50.979 tors. eta vs tors. theta energy: -51.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -625.200539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.200539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.200539 (E_RNA) where: Base-Base interactions energy: -371.850 where: short stacking energy: -192.897 Base-Backbone interact. energy: -1.836 local terms energy: -251.514946 where: bonds (distance) C4'-P energy: -61.891 bonds (distance) P-C4' energy: -65.356 flat angles C4'-P-C4' energy: -60.625 flat angles P-C4'-P energy: -26.105 tors. eta vs tors. theta energy: -37.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -431.992111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.992111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.992111 (E_RNA) where: Base-Base interactions energy: -221.236 where: short stacking energy: -115.332 Base-Backbone interact. energy: 2.570 local terms energy: -213.325321 where: bonds (distance) C4'-P energy: -60.460 bonds (distance) P-C4' energy: -51.596 flat angles C4'-P-C4' energy: -50.076 flat angles P-C4'-P energy: -34.466 tors. eta vs tors. theta energy: -16.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -387.469324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.469324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.469324 (E_RNA) where: Base-Base interactions energy: -177.418 where: short stacking energy: -92.307 Base-Backbone interact. energy: -1.796 local terms energy: -208.255428 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -61.151 flat angles C4'-P-C4' energy: -52.179 flat angles P-C4'-P energy: -25.957 tors. eta vs tors. theta energy: -1.883 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: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1126.644897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.644897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.644897 (E_RNA) where: Base-Base interactions energy: -758.884 where: short stacking energy: -348.235 Base-Backbone interact. energy: -2.341 local terms energy: -365.420644 where: bonds (distance) C4'-P energy: -67.826 bonds (distance) P-C4' energy: -71.748 flat angles C4'-P-C4' energy: -77.541 flat angles P-C4'-P energy: -46.285 tors. eta vs tors. theta energy: -102.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1072.974918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.974918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.974918 (E_RNA) where: Base-Base interactions energy: -737.704 where: short stacking energy: -309.588 Base-Backbone interact. energy: -1.677 local terms energy: -333.594011 where: bonds (distance) C4'-P energy: -67.731 bonds (distance) P-C4' energy: -56.942 flat angles C4'-P-C4' energy: -71.587 flat angles P-C4'-P energy: -54.912 tors. eta vs tors. theta energy: -82.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -989.291256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.291256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.291256 (E_RNA) where: Base-Base interactions energy: -660.375 where: short stacking energy: -311.818 Base-Backbone interact. energy: -1.308 local terms energy: -327.608852 where: bonds (distance) C4'-P energy: -59.847 bonds (distance) P-C4' energy: -69.604 flat angles C4'-P-C4' energy: -71.265 flat angles P-C4'-P energy: -45.791 tors. eta vs tors. theta energy: -81.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -950.594574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.594574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.594574 (E_RNA) where: Base-Base interactions energy: -619.311 where: short stacking energy: -325.611 Base-Backbone interact. energy: 0.942 local terms energy: -332.225188 where: bonds (distance) C4'-P energy: -63.321 bonds (distance) P-C4' energy: -59.152 flat angles C4'-P-C4' energy: -76.589 flat angles P-C4'-P energy: -51.877 tors. eta vs tors. theta energy: -81.286 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: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -851.203673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.203673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.203673 (E_RNA) where: Base-Base interactions energy: -566.953 where: short stacking energy: -238.928 Base-Backbone interact. energy: -1.156 local terms energy: -283.095208 where: bonds (distance) C4'-P energy: -56.819 bonds (distance) P-C4' energy: -66.598 flat angles C4'-P-C4' energy: -64.066 flat angles P-C4'-P energy: -45.528 tors. eta vs tors. theta energy: -50.084 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: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -861.084909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.084909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.084909 (E_RNA) where: Base-Base interactions energy: -551.341 where: short stacking energy: -263.674 Base-Backbone interact. energy: 0.782 local terms energy: -310.525430 where: bonds (distance) C4'-P energy: -57.885 bonds (distance) P-C4' energy: -70.693 flat angles C4'-P-C4' energy: -68.162 flat angles P-C4'-P energy: -48.652 tors. eta vs tors. theta energy: -65.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -764.617676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.617676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.617676 (E_RNA) where: Base-Base interactions energy: -494.929 where: short stacking energy: -230.870 Base-Backbone interact. energy: -2.357 local terms energy: -267.332168 where: bonds (distance) C4'-P energy: -56.756 bonds (distance) P-C4' energy: -59.588 flat angles C4'-P-C4' energy: -63.511 flat angles P-C4'-P energy: -48.790 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: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -625.076372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.076372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.076372 (E_RNA) where: Base-Base interactions energy: -372.910 where: short stacking energy: -189.941 Base-Backbone interact. energy: -1.973 local terms energy: -250.193546 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -61.491 flat angles C4'-P-C4' energy: -50.647 flat angles P-C4'-P energy: -26.690 tors. eta vs tors. theta energy: -46.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -449.700656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.700656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.700656 (E_RNA) where: Base-Base interactions energy: -232.807 where: short stacking energy: -157.934 Base-Backbone interact. energy: 1.563 local terms energy: -218.457243 where: bonds (distance) C4'-P energy: -52.940 bonds (distance) P-C4' energy: -53.326 flat angles C4'-P-C4' energy: -54.028 flat angles P-C4'-P energy: -28.609 tors. eta vs tors. theta energy: -29.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -379.837933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.837933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.837933 (E_RNA) where: Base-Base interactions energy: -166.758 where: short stacking energy: -113.704 Base-Backbone interact. energy: -1.589 local terms energy: -211.490428 where: bonds (distance) C4'-P energy: -40.112 bonds (distance) P-C4' energy: -60.324 flat angles C4'-P-C4' energy: -57.331 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -9.278 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: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1115.755884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.755884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.755884 (E_RNA) where: Base-Base interactions energy: -744.965 where: short stacking energy: -340.537 Base-Backbone interact. energy: -1.428 local terms energy: -369.363323 where: bonds (distance) C4'-P energy: -68.031 bonds (distance) P-C4' energy: -74.560 flat angles C4'-P-C4' energy: -74.283 flat angles P-C4'-P energy: -48.734 tors. eta vs tors. theta energy: -103.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1061.577969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.577969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.577969 (E_RNA) where: Base-Base interactions energy: -731.164 where: short stacking energy: -305.842 Base-Backbone interact. energy: -4.249 local terms energy: -326.165436 where: bonds (distance) C4'-P energy: -59.940 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -78.835 flat angles P-C4'-P energy: -43.433 tors. eta vs tors. theta energy: -82.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1022.389131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.389131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.389131 (E_RNA) where: Base-Base interactions energy: -682.257 where: short stacking energy: -327.172 Base-Backbone interact. energy: -0.645 local terms energy: -339.487176 where: bonds (distance) C4'-P energy: -60.333 bonds (distance) P-C4' energy: -65.598 flat angles C4'-P-C4' energy: -71.403 flat angles P-C4'-P energy: -54.174 tors. eta vs tors. theta energy: -87.978 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: 10 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -931.998086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.998086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.998086 (E_RNA) where: Base-Base interactions energy: -610.000 where: short stacking energy: -270.908 Base-Backbone interact. energy: -0.597 local terms energy: -321.401723 where: bonds (distance) C4'-P energy: -63.507 bonds (distance) P-C4' energy: -63.412 flat angles C4'-P-C4' energy: -73.222 flat angles P-C4'-P energy: -52.437 tors. eta vs tors. theta energy: -68.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -865.676412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.676412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.676412 (E_RNA) where: Base-Base interactions energy: -582.621 where: short stacking energy: -260.028 Base-Backbone interact. energy: -0.098 local terms energy: -282.957736 where: bonds (distance) C4'-P energy: -55.947 bonds (distance) P-C4' energy: -65.777 flat angles C4'-P-C4' energy: -64.768 flat angles P-C4'-P energy: -40.547 tors. eta vs tors. theta energy: -55.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -866.101608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.101608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.101608 (E_RNA) where: Base-Base interactions energy: -528.500 where: short stacking energy: -243.820 Base-Backbone interact. energy: 1.227 local terms energy: -338.828870 where: bonds (distance) C4'-P energy: -67.387 bonds (distance) P-C4' energy: -64.759 flat angles C4'-P-C4' energy: -76.499 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -72.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -752.544668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.544668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.544668 (E_RNA) where: Base-Base interactions energy: -458.032 where: short stacking energy: -225.460 Base-Backbone interact. energy: -1.498 local terms energy: -293.014485 where: bonds (distance) C4'-P energy: -64.096 bonds (distance) P-C4' energy: -71.911 flat angles C4'-P-C4' energy: -69.521 flat angles P-C4'-P energy: -37.893 tors. eta vs tors. theta energy: -49.593 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: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -597.120628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.120628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.120628 (E_RNA) where: Base-Base interactions energy: -350.944 where: short stacking energy: -170.428 Base-Backbone interact. energy: -1.401 local terms energy: -244.775922 where: bonds (distance) C4'-P energy: -71.650 bonds (distance) P-C4' energy: -59.474 flat angles C4'-P-C4' energy: -52.893 flat angles P-C4'-P energy: -38.791 tors. eta vs tors. theta energy: -21.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -466.947891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.947891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.947891 (E_RNA) where: Base-Base interactions energy: -237.638 where: short stacking energy: -134.400 Base-Backbone interact. energy: -0.874 local terms energy: -228.436136 where: bonds (distance) C4'-P energy: -68.426 bonds (distance) P-C4' energy: -60.285 flat angles C4'-P-C4' energy: -64.893 flat angles P-C4'-P energy: -23.377 tors. eta vs tors. theta energy: -11.455 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: 199 Temperature: 1.350000 Total energy: -385.059769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.059769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.059769 (E_RNA) where: Base-Base interactions energy: -166.848 where: short stacking energy: -121.502 Base-Backbone interact. energy: -0.181 local terms energy: -218.030553 where: bonds (distance) C4'-P energy: -51.775 bonds (distance) P-C4' energy: -53.792 flat angles C4'-P-C4' energy: -54.392 flat angles P-C4'-P energy: -31.306 tors. eta vs tors. theta energy: -26.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1111.208510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.208510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.208510 (E_RNA) where: Base-Base interactions energy: -751.907 where: short stacking energy: -350.684 Base-Backbone interact. energy: 0.072 local terms energy: -359.372958 where: bonds (distance) C4'-P energy: -60.144 bonds (distance) P-C4' energy: -74.433 flat angles C4'-P-C4' energy: -77.593 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -94.319 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: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1072.545461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.545461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.545461 (E_RNA) where: Base-Base interactions energy: -698.923 where: short stacking energy: -313.924 Base-Backbone interact. energy: -2.103 local terms energy: -371.519381 where: bonds (distance) C4'-P energy: -80.084 bonds (distance) P-C4' energy: -77.433 flat angles C4'-P-C4' energy: -69.874 flat angles P-C4'-P energy: -54.221 tors. eta vs tors. theta energy: -89.908 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: 200 Temperature: 1.000000 Total energy: -987.755424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.755424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.755424 (E_RNA) where: Base-Base interactions energy: -663.394 where: short stacking energy: -310.357 Base-Backbone interact. energy: 0.192 local terms energy: -324.552771 where: bonds (distance) C4'-P energy: -60.095 bonds (distance) P-C4' energy: -70.045 flat angles C4'-P-C4' energy: -70.298 flat angles P-C4'-P energy: -42.175 tors. eta vs tors. theta energy: -81.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -972.639654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.639654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.639654 (E_RNA) where: Base-Base interactions energy: -626.143 where: short stacking energy: -298.891 Base-Backbone interact. energy: -1.299 local terms energy: -345.197460 where: bonds (distance) C4'-P energy: -68.474 bonds (distance) P-C4' energy: -79.955 flat angles C4'-P-C4' energy: -77.038 flat angles P-C4'-P energy: -36.957 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: 5, replica: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -912.816819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.816819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.816819 (E_RNA) where: Base-Base interactions energy: -609.008 where: short stacking energy: -292.229 Base-Backbone interact. energy: 1.191 local terms energy: -304.999623 where: bonds (distance) C4'-P energy: -59.231 bonds (distance) P-C4' energy: -61.373 flat angles C4'-P-C4' energy: -69.160 flat angles P-C4'-P energy: -39.136 tors. eta vs tors. theta energy: -76.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -823.241817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.241817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.241817 (E_RNA) where: Base-Base interactions energy: -545.349 where: short stacking energy: -260.854 Base-Backbone interact. energy: -2.132 local terms energy: -275.761103 where: bonds (distance) C4'-P energy: -56.756 bonds (distance) P-C4' energy: -51.612 flat angles C4'-P-C4' energy: -61.271 flat angles P-C4'-P energy: -40.741 tors. eta vs tors. theta energy: -65.381 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: 200 Temperature: 1.200000 Total energy: -736.576749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.576749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.576749 (E_RNA) where: Base-Base interactions energy: -470.915 where: short stacking energy: -217.615 Base-Backbone interact. energy: -1.645 local terms energy: -264.017214 where: bonds (distance) C4'-P energy: -61.764 bonds (distance) P-C4' energy: -61.811 flat angles C4'-P-C4' energy: -61.028 flat angles P-C4'-P energy: -39.549 tors. eta vs tors. theta energy: -39.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -620.649648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.649648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.649648 (E_RNA) where: Base-Base interactions energy: -369.901 where: short stacking energy: -196.783 Base-Backbone interact. energy: -1.128 local terms energy: -249.620792 where: bonds (distance) C4'-P energy: -53.971 bonds (distance) P-C4' energy: -59.377 flat angles C4'-P-C4' energy: -49.002 flat angles P-C4'-P energy: -46.698 tors. eta vs tors. theta energy: -40.572 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: 6 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -466.682117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.682117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.682117 (E_RNA) where: Base-Base interactions energy: -246.612 where: short stacking energy: -149.229 Base-Backbone interact. energy: 2.314 local terms energy: -222.384227 where: bonds (distance) C4'-P energy: -57.703 bonds (distance) P-C4' energy: -56.649 flat angles C4'-P-C4' energy: -62.973 flat angles P-C4'-P energy: -32.604 tors. eta vs tors. theta energy: -12.455 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: 200 Temperature: 1.350000 Total energy: -359.996305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.996305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.996305 (E_RNA) where: Base-Base interactions energy: -198.837 where: short stacking energy: -95.748 Base-Backbone interact. energy: -1.126 local terms energy: -160.033179 where: bonds (distance) C4'-P energy: -62.518 bonds (distance) P-C4' energy: -65.639 flat angles C4'-P-C4' energy: -42.604 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: 17.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1124.397488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.397488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.397488 (E_RNA) where: Base-Base interactions energy: -757.667 where: short stacking energy: -353.075 Base-Backbone interact. energy: -1.281 local terms energy: -365.448773 where: bonds (distance) C4'-P energy: -66.694 bonds (distance) P-C4' energy: -68.026 flat angles C4'-P-C4' energy: -81.085 flat angles P-C4'-P energy: -46.010 tors. eta vs tors. theta energy: -103.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1101.716015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.716015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.716015 (E_RNA) where: Base-Base interactions energy: -747.664 where: short stacking energy: -329.183 Base-Backbone interact. energy: -2.344 local terms energy: -351.707906 where: bonds (distance) C4'-P energy: -57.880 bonds (distance) P-C4' energy: -74.335 flat angles C4'-P-C4' energy: -78.308 flat angles P-C4'-P energy: -49.856 tors. eta vs tors. theta energy: -91.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1000.127783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.127783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.127783 (E_RNA) where: Base-Base interactions energy: -661.496 where: short stacking energy: -311.134 Base-Backbone interact. energy: 1.695 local terms energy: -340.326925 where: bonds (distance) C4'-P energy: -60.015 bonds (distance) P-C4' energy: -70.918 flat angles C4'-P-C4' energy: -76.321 flat angles P-C4'-P energy: -46.187 tors. eta vs tors. theta energy: -86.886 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: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -959.611533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.611533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.611533 (E_RNA) where: Base-Base interactions energy: -628.162 where: short stacking energy: -278.621 Base-Backbone interact. energy: -1.642 local terms energy: -329.807746 where: bonds (distance) C4'-P energy: -62.780 bonds (distance) P-C4' energy: -73.145 flat angles C4'-P-C4' energy: -72.311 flat angles P-C4'-P energy: -51.094 tors. eta vs tors. theta energy: -70.477 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: 5, replica: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -889.622804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.622804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.622804 (E_RNA) where: Base-Base interactions energy: -568.194 where: short stacking energy: -264.039 Base-Backbone interact. energy: 0.121 local terms energy: -321.549708 where: bonds (distance) C4'-P energy: -71.185 bonds (distance) P-C4' energy: -69.758 flat angles C4'-P-C4' energy: -75.724 flat angles P-C4'-P energy: -37.719 tors. eta vs tors. theta energy: -67.164 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: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -837.280724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.280724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.280724 (E_RNA) where: Base-Base interactions energy: -520.056 where: short stacking energy: -254.629 Base-Backbone interact. energy: -0.944 local terms energy: -316.281131 where: bonds (distance) C4'-P energy: -62.714 bonds (distance) P-C4' energy: -75.067 flat angles C4'-P-C4' energy: -74.788 flat angles P-C4'-P energy: -39.539 tors. eta vs tors. theta energy: -64.173 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: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -764.618491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.618491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.618491 (E_RNA) where: Base-Base interactions energy: -506.384 where: short stacking energy: -209.979 Base-Backbone interact. energy: 0.875 local terms energy: -259.108850 where: bonds (distance) C4'-P energy: -51.764 bonds (distance) P-C4' energy: -49.270 flat angles C4'-P-C4' energy: -66.477 flat angles P-C4'-P energy: -49.254 tors. eta vs tors. theta energy: -42.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -645.075953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.075953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.075953 (E_RNA) where: Base-Base interactions energy: -397.494 where: short stacking energy: -180.334 Base-Backbone interact. energy: -1.455 local terms energy: -246.126483 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -53.932 flat angles C4'-P-C4' energy: -60.545 flat angles P-C4'-P energy: -36.538 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: 9, replica: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -433.029050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.029050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.029050 (E_RNA) where: Base-Base interactions energy: -225.006 where: short stacking energy: -121.483 Base-Backbone interact. energy: -0.558 local terms energy: -207.465454 where: bonds (distance) C4'-P energy: -47.770 bonds (distance) P-C4' energy: -62.903 flat angles C4'-P-C4' energy: -48.816 flat angles P-C4'-P energy: -39.727 tors. eta vs tors. theta energy: -8.250 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: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -479.072283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.072283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.072283 (E_RNA) where: Base-Base interactions energy: -255.221 where: short stacking energy: -137.198 Base-Backbone interact. energy: 0.197 local terms energy: -224.047547 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -62.293 flat angles C4'-P-C4' energy: -57.115 flat angles P-C4'-P energy: -28.765 tors. eta vs tors. theta energy: -16.622 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: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1101.004845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.004845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.004845 (E_RNA) where: Base-Base interactions energy: -752.809 where: short stacking energy: -314.985 Base-Backbone interact. energy: -3.029 local terms energy: -345.166649 where: bonds (distance) C4'-P energy: -66.743 bonds (distance) P-C4' energy: -63.639 flat angles C4'-P-C4' energy: -76.028 flat angles P-C4'-P energy: -55.065 tors. eta vs tors. theta energy: -83.692 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: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1099.545910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.545910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.545910 (E_RNA) where: Base-Base interactions energy: -752.818 where: short stacking energy: -340.431 Base-Backbone interact. energy: -0.850 local terms energy: -345.878166 where: bonds (distance) C4'-P energy: -62.401 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -76.167 flat angles P-C4'-P energy: -52.091 tors. eta vs tors. theta energy: -94.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1029.555065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.555065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.555065 (E_RNA) where: Base-Base interactions energy: -674.691 where: short stacking energy: -324.499 Base-Backbone interact. energy: 1.244 local terms energy: -356.107833 where: bonds (distance) C4'-P energy: -73.151 bonds (distance) P-C4' energy: -68.571 flat angles C4'-P-C4' energy: -70.993 flat angles P-C4'-P energy: -53.107 tors. eta vs tors. theta energy: -90.285 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: 202 Temperature: 1.050000 Total energy: -951.509093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.509093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.509093 (E_RNA) where: Base-Base interactions energy: -637.586 where: short stacking energy: -285.964 Base-Backbone interact. energy: -1.419 local terms energy: -312.504221 where: bonds (distance) C4'-P energy: -64.692 bonds (distance) P-C4' energy: -67.111 flat angles C4'-P-C4' energy: -70.115 flat angles P-C4'-P energy: -34.243 tors. eta vs tors. theta energy: -76.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -929.418838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.418838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.418838 (E_RNA) where: Base-Base interactions energy: -622.996 where: short stacking energy: -295.798 Base-Backbone interact. energy: -1.739 local terms energy: -304.683516 where: bonds (distance) C4'-P energy: -51.991 bonds (distance) P-C4' energy: -70.687 flat angles C4'-P-C4' energy: -59.327 flat angles P-C4'-P energy: -44.283 tors. eta vs tors. theta energy: -78.396 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: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -859.093231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.093231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.093231 (E_RNA) where: Base-Base interactions energy: -555.020 where: short stacking energy: -255.312 Base-Backbone interact. energy: -0.935 local terms energy: -303.138538 where: bonds (distance) C4'-P energy: -65.487 bonds (distance) P-C4' energy: -62.408 flat angles C4'-P-C4' energy: -65.454 flat angles P-C4'-P energy: -42.450 tors. eta vs tors. theta energy: -67.340 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: 202 Temperature: 1.200000 Total energy: -758.674789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.674789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.674789 (E_RNA) where: Base-Base interactions energy: -489.382 where: short stacking energy: -213.967 Base-Backbone interact. energy: -0.168 local terms energy: -269.124144 where: bonds (distance) C4'-P energy: -70.893 bonds (distance) P-C4' energy: -39.076 flat angles C4'-P-C4' energy: -63.068 flat angles P-C4'-P energy: -42.057 tors. eta vs tors. theta energy: -54.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -661.667315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.667315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.667315 (E_RNA) where: Base-Base interactions energy: -409.589 where: short stacking energy: -177.954 Base-Backbone interact. energy: 1.171 local terms energy: -253.249218 where: bonds (distance) C4'-P energy: -58.381 bonds (distance) P-C4' energy: -67.464 flat angles C4'-P-C4' energy: -61.903 flat angles P-C4'-P energy: -36.426 tors. eta vs tors. theta energy: -29.075 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: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -435.738449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.738449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.738449 (E_RNA) where: Base-Base interactions energy: -243.750 where: short stacking energy: -125.811 Base-Backbone interact. energy: 1.136 local terms energy: -193.125281 where: bonds (distance) C4'-P energy: -52.353 bonds (distance) P-C4' energy: -52.465 flat angles C4'-P-C4' energy: -42.676 flat angles P-C4'-P energy: -32.572 tors. eta vs tors. theta energy: -13.059 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: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -398.180809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.180809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.180809 (E_RNA) where: Base-Base interactions energy: -188.940 where: short stacking energy: -119.286 Base-Backbone interact. energy: -0.806 local terms energy: -208.434693 where: bonds (distance) C4'-P energy: -56.096 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -55.653 flat angles P-C4'-P energy: -18.458 tors. eta vs tors. theta energy: -20.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1107.227957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.227957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.227957 (E_RNA) where: Base-Base interactions energy: -747.647 where: short stacking energy: -327.754 Base-Backbone interact. energy: -2.850 local terms energy: -356.731085 where: bonds (distance) C4'-P energy: -69.735 bonds (distance) P-C4' energy: -72.944 flat angles C4'-P-C4' energy: -71.226 flat angles P-C4'-P energy: -52.281 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: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1121.803533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.803533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.803533 (E_RNA) where: Base-Base interactions energy: -769.317 where: short stacking energy: -329.786 Base-Backbone interact. energy: -2.394 local terms energy: -350.092094 where: bonds (distance) C4'-P energy: -64.450 bonds (distance) P-C4' energy: -71.307 flat angles C4'-P-C4' energy: -75.940 flat angles P-C4'-P energy: -42.622 tors. eta vs tors. theta energy: -95.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1014.449892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.449892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.449892 (E_RNA) where: Base-Base interactions energy: -668.581 where: short stacking energy: -327.319 Base-Backbone interact. energy: -1.025 local terms energy: -344.844141 where: bonds (distance) C4'-P energy: -71.616 bonds (distance) P-C4' energy: -68.007 flat angles C4'-P-C4' energy: -71.917 flat angles P-C4'-P energy: -44.599 tors. eta vs tors. theta energy: -88.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -966.043268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.043268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.043268 (E_RNA) where: Base-Base interactions energy: -653.735 where: short stacking energy: -287.509 Base-Backbone interact. energy: -3.000 local terms energy: -309.308735 where: bonds (distance) C4'-P energy: -68.710 bonds (distance) P-C4' energy: -67.919 flat angles C4'-P-C4' energy: -55.641 flat angles P-C4'-P energy: -36.815 tors. eta vs tors. theta energy: -80.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -888.475562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.475562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.475562 (E_RNA) where: Base-Base interactions energy: -577.762 where: short stacking energy: -255.466 Base-Backbone interact. energy: 0.109 local terms energy: -310.822277 where: bonds (distance) C4'-P energy: -65.554 bonds (distance) P-C4' energy: -69.940 flat angles C4'-P-C4' energy: -74.775 flat angles P-C4'-P energy: -45.986 tors. eta vs tors. theta energy: -54.566 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: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -852.870693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.870693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.870693 (E_RNA) where: Base-Base interactions energy: -552.492 where: short stacking energy: -248.704 Base-Backbone interact. energy: -2.315 local terms energy: -298.063280 where: bonds (distance) C4'-P energy: -54.738 bonds (distance) P-C4' energy: -69.827 flat angles C4'-P-C4' energy: -64.757 flat angles P-C4'-P energy: -50.372 tors. eta vs tors. theta energy: -58.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -760.699549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.699549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.699549 (E_RNA) where: Base-Base interactions energy: -493.582 where: short stacking energy: -226.235 Base-Backbone interact. energy: -2.027 local terms energy: -265.090548 where: bonds (distance) C4'-P energy: -55.572 bonds (distance) P-C4' energy: -65.413 flat angles C4'-P-C4' energy: -55.620 flat angles P-C4'-P energy: -38.662 tors. eta vs tors. theta energy: -49.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -658.830469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.830469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.830469 (E_RNA) where: Base-Base interactions energy: -438.067 where: short stacking energy: -205.031 Base-Backbone interact. energy: 0.255 local terms energy: -221.018238 where: bonds (distance) C4'-P energy: -48.386 bonds (distance) P-C4' energy: -54.062 flat angles C4'-P-C4' energy: -49.842 flat angles P-C4'-P energy: -37.527 tors. eta vs tors. theta energy: -31.201 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: 9, replica: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -456.273145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.273145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.273145 (E_RNA) where: Base-Base interactions energy: -227.106 where: short stacking energy: -149.653 Base-Backbone interact. energy: -0.056 local terms energy: -229.111000 where: bonds (distance) C4'-P energy: -51.142 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -56.865 flat angles P-C4'-P energy: -39.005 tors. eta vs tors. theta energy: -22.953 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: 203 Temperature: 1.350000 Total energy: -394.642926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.642926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.642926 (E_RNA) where: Base-Base interactions energy: -182.146 where: short stacking energy: -100.833 Base-Backbone interact. energy: -0.848 local terms energy: -211.649070 where: bonds (distance) C4'-P energy: -51.692 bonds (distance) P-C4' energy: -64.768 flat angles C4'-P-C4' energy: -51.789 flat angles P-C4'-P energy: -34.500 tors. eta vs tors. theta energy: -8.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1124.953466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.953466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.953466 (E_RNA) where: Base-Base interactions energy: -756.585 where: short stacking energy: -335.443 Base-Backbone interact. energy: -2.434 local terms energy: -365.934917 where: bonds (distance) C4'-P energy: -63.356 bonds (distance) P-C4' energy: -74.371 flat angles C4'-P-C4' energy: -75.355 flat angles P-C4'-P energy: -60.986 tors. eta vs tors. theta energy: -91.868 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: 204 Temperature: 0.950000 Total energy: -1064.719938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.719938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.719938 (E_RNA) where: Base-Base interactions energy: -722.621 where: short stacking energy: -328.966 Base-Backbone interact. energy: -3.259 local terms energy: -338.840112 where: bonds (distance) C4'-P energy: -64.132 bonds (distance) P-C4' energy: -74.276 flat angles C4'-P-C4' energy: -74.690 flat angles P-C4'-P energy: -31.828 tors. eta vs tors. theta energy: -93.915 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: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1006.833336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.833336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.833336 (E_RNA) where: Base-Base interactions energy: -689.457 where: short stacking energy: -320.033 Base-Backbone interact. energy: -0.617 local terms energy: -316.759635 where: bonds (distance) C4'-P energy: -57.643 bonds (distance) P-C4' energy: -63.510 flat angles C4'-P-C4' energy: -68.594 flat angles P-C4'-P energy: -43.139 tors. eta vs tors. theta energy: -83.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -949.300480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.300480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.300480 (E_RNA) where: Base-Base interactions energy: -634.766 where: short stacking energy: -295.403 Base-Backbone interact. energy: -1.739 local terms energy: -312.795867 where: bonds (distance) C4'-P energy: -58.011 bonds (distance) P-C4' energy: -57.101 flat angles C4'-P-C4' energy: -75.960 flat angles P-C4'-P energy: -42.571 tors. eta vs tors. theta energy: -79.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -863.334055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.334055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.334055 (E_RNA) where: Base-Base interactions energy: -570.766 where: short stacking energy: -255.792 Base-Backbone interact. energy: -1.187 local terms energy: -291.381909 where: bonds (distance) C4'-P energy: -59.278 bonds (distance) P-C4' energy: -74.863 flat angles C4'-P-C4' energy: -55.501 flat angles P-C4'-P energy: -46.579 tors. eta vs tors. theta energy: -55.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -840.181490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.181490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.181490 (E_RNA) where: Base-Base interactions energy: -541.893 where: short stacking energy: -265.551 Base-Backbone interact. energy: -1.504 local terms energy: -296.783968 where: bonds (distance) C4'-P energy: -57.299 bonds (distance) P-C4' energy: -57.098 flat angles C4'-P-C4' energy: -75.294 flat angles P-C4'-P energy: -50.343 tors. eta vs tors. theta energy: -56.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -735.869254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.869254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.869254 (E_RNA) where: Base-Base interactions energy: -483.187 where: short stacking energy: -207.042 Base-Backbone interact. energy: -1.766 local terms energy: -250.915440 where: bonds (distance) C4'-P energy: -45.069 bonds (distance) P-C4' energy: -57.289 flat angles C4'-P-C4' energy: -73.925 flat angles P-C4'-P energy: -37.632 tors. eta vs tors. theta energy: -37.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -673.374506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.374506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.374506 (E_RNA) where: Base-Base interactions energy: -425.293 where: short stacking energy: -203.077 Base-Backbone interact. energy: 7.305 local terms energy: -255.386179 where: bonds (distance) C4'-P energy: -61.172 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -57.210 flat angles P-C4'-P energy: -34.742 tors. eta vs tors. theta energy: -45.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -455.792152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.792152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.792152 (E_RNA) where: Base-Base interactions energy: -236.076 where: short stacking energy: -142.902 Base-Backbone interact. energy: -0.447 local terms energy: -219.268871 where: bonds (distance) C4'-P energy: -52.314 bonds (distance) P-C4' energy: -67.782 flat angles C4'-P-C4' energy: -43.345 flat angles P-C4'-P energy: -37.235 tors. eta vs tors. theta energy: -18.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -375.337930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.337930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.337930 (E_RNA) where: Base-Base interactions energy: -177.318 where: short stacking energy: -83.671 Base-Backbone interact. energy: -0.491 local terms energy: -197.528287 where: bonds (distance) C4'-P energy: -49.829 bonds (distance) P-C4' energy: -72.238 flat angles C4'-P-C4' energy: -53.314 flat angles P-C4'-P energy: -31.414 tors. eta vs tors. theta energy: 9.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1124.305637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.305637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.305637 (E_RNA) where: Base-Base interactions energy: -753.846 where: short stacking energy: -337.550 Base-Backbone interact. energy: 0.558 local terms energy: -371.017688 where: bonds (distance) C4'-P energy: -73.854 bonds (distance) P-C4' energy: -65.280 flat angles C4'-P-C4' energy: -78.658 flat angles P-C4'-P energy: -50.970 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: 2, replica: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1088.429248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.429248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.429248 (E_RNA) where: Base-Base interactions energy: -740.894 where: short stacking energy: -327.370 Base-Backbone interact. energy: -1.595 local terms energy: -345.940208 where: bonds (distance) C4'-P energy: -69.095 bonds (distance) P-C4' energy: -65.449 flat angles C4'-P-C4' energy: -70.455 flat angles P-C4'-P energy: -48.338 tors. eta vs tors. theta energy: -92.603 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: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -993.254390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.254390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.254390 (E_RNA) where: Base-Base interactions energy: -659.234 where: short stacking energy: -308.403 Base-Backbone interact. energy: -2.398 local terms energy: -331.622011 where: bonds (distance) C4'-P energy: -63.245 bonds (distance) P-C4' energy: -69.108 flat angles C4'-P-C4' energy: -66.814 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: -84.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -991.364509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.364509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.364509 (E_RNA) where: Base-Base interactions energy: -647.840 where: short stacking energy: -314.568 Base-Backbone interact. energy: 1.278 local terms energy: -344.801888 where: bonds (distance) C4'-P energy: -60.884 bonds (distance) P-C4' energy: -69.774 flat angles C4'-P-C4' energy: -80.468 flat angles P-C4'-P energy: -47.310 tors. eta vs tors. theta energy: -86.366 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: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -833.153975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.153975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.153975 (E_RNA) where: Base-Base interactions energy: -530.967 where: short stacking energy: -241.685 Base-Backbone interact. energy: -0.736 local terms energy: -301.451327 where: bonds (distance) C4'-P energy: -64.649 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -63.240 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -56.686 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: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -841.350735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.350735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.350735 (E_RNA) where: Base-Base interactions energy: -564.812 where: short stacking energy: -246.400 Base-Backbone interact. energy: -0.727 local terms energy: -275.810919 where: bonds (distance) C4'-P energy: -61.424 bonds (distance) P-C4' energy: -52.797 flat angles C4'-P-C4' energy: -58.539 flat angles P-C4'-P energy: -47.460 tors. eta vs tors. theta energy: -55.591 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: 205 Temperature: 1.200000 Total energy: -768.178606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.178606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.178606 (E_RNA) where: Base-Base interactions energy: -480.199 where: short stacking energy: -207.861 Base-Backbone interact. energy: 2.354 local terms energy: -290.333911 where: bonds (distance) C4'-P energy: -61.004 bonds (distance) P-C4' energy: -76.262 flat angles C4'-P-C4' energy: -56.876 flat angles P-C4'-P energy: -46.390 tors. eta vs tors. theta energy: -49.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -741.814672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.814672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.814672 (E_RNA) where: Base-Base interactions energy: -469.599 where: short stacking energy: -214.217 Base-Backbone interact. energy: -1.554 local terms energy: -270.661828 where: bonds (distance) C4'-P energy: -62.097 bonds (distance) P-C4' energy: -58.414 flat angles C4'-P-C4' energy: -57.265 flat angles P-C4'-P energy: -44.780 tors. eta vs tors. theta energy: -48.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -461.531812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.531812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.531812 (E_RNA) where: Base-Base interactions energy: -240.889 where: short stacking energy: -149.658 Base-Backbone interact. energy: -0.053 local terms energy: -220.589574 where: bonds (distance) C4'-P energy: -53.028 bonds (distance) P-C4' energy: -63.506 flat angles C4'-P-C4' energy: -54.104 flat angles P-C4'-P energy: -30.630 tors. eta vs tors. theta energy: -19.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -353.822889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.822889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.822889 (E_RNA) where: Base-Base interactions energy: -174.030 where: short stacking energy: -106.098 Base-Backbone interact. energy: -0.199 local terms energy: -179.594178 where: bonds (distance) C4'-P energy: -51.578 bonds (distance) P-C4' energy: -56.952 flat angles C4'-P-C4' energy: -52.650 flat angles P-C4'-P energy: -19.529 tors. eta vs tors. theta energy: 1.115 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: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1141.272403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.272403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.272403 (E_RNA) where: Base-Base interactions energy: -781.995 where: short stacking energy: -365.301 Base-Backbone interact. energy: -0.297 local terms energy: -358.980858 where: bonds (distance) C4'-P energy: -69.772 bonds (distance) P-C4' energy: -66.029 flat angles C4'-P-C4' energy: -75.472 flat angles P-C4'-P energy: -51.318 tors. eta vs tors. theta energy: -96.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1072.755848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.755848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.755848 (E_RNA) where: Base-Base interactions energy: -722.622 where: short stacking energy: -335.840 Base-Backbone interact. energy: -0.397 local terms energy: -349.737257 where: bonds (distance) C4'-P energy: -61.850 bonds (distance) P-C4' energy: -71.904 flat angles C4'-P-C4' energy: -78.271 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: -95.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1019.507380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.507380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.507380 (E_RNA) where: Base-Base interactions energy: -673.601 where: short stacking energy: -312.762 Base-Backbone interact. energy: 0.127 local terms energy: -346.034173 where: bonds (distance) C4'-P energy: -69.216 bonds (distance) P-C4' energy: -75.272 flat angles C4'-P-C4' energy: -71.834 flat angles P-C4'-P energy: -38.791 tors. eta vs tors. theta energy: -90.922 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: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -978.406462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.406462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.406462 (E_RNA) where: Base-Base interactions energy: -646.126 where: short stacking energy: -300.178 Base-Backbone interact. energy: -0.142 local terms energy: -332.138445 where: bonds (distance) C4'-P energy: -73.632 bonds (distance) P-C4' energy: -66.644 flat angles C4'-P-C4' energy: -73.982 flat angles P-C4'-P energy: -39.759 tors. eta vs tors. theta energy: -78.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -882.165826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.165826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.165826 (E_RNA) where: Base-Base interactions energy: -578.736 where: short stacking energy: -255.897 Base-Backbone interact. energy: -2.624 local terms energy: -300.805562 where: bonds (distance) C4'-P energy: -65.912 bonds (distance) P-C4' energy: -67.397 flat angles C4'-P-C4' energy: -68.499 flat angles P-C4'-P energy: -42.085 tors. eta vs tors. theta energy: -56.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -815.592724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.592724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.592724 (E_RNA) where: Base-Base interactions energy: -536.098 where: short stacking energy: -241.308 Base-Backbone interact. energy: -1.952 local terms energy: -277.543294 where: bonds (distance) C4'-P energy: -54.203 bonds (distance) P-C4' energy: -55.417 flat angles C4'-P-C4' energy: -73.628 flat angles P-C4'-P energy: -43.697 tors. eta vs tors. theta energy: -50.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -732.090066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.090066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.090066 (E_RNA) where: Base-Base interactions energy: -456.283 where: short stacking energy: -196.236 Base-Backbone interact. energy: -1.974 local terms energy: -273.832524 where: bonds (distance) C4'-P energy: -58.167 bonds (distance) P-C4' energy: -67.706 flat angles C4'-P-C4' energy: -70.870 flat angles P-C4'-P energy: -35.827 tors. eta vs tors. theta energy: -41.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -676.846319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.846319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.846319 (E_RNA) where: Base-Base interactions energy: -417.194 where: short stacking energy: -196.991 Base-Backbone interact. energy: -1.360 local terms energy: -258.292072 where: bonds (distance) C4'-P energy: -58.190 bonds (distance) P-C4' energy: -61.860 flat angles C4'-P-C4' energy: -48.811 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -44.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -415.440975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.440975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.440975 (E_RNA) where: Base-Base interactions energy: -210.912 where: short stacking energy: -138.491 Base-Backbone interact. energy: -0.992 local terms energy: -203.536521 where: bonds (distance) C4'-P energy: -61.798 bonds (distance) P-C4' energy: -57.295 flat angles C4'-P-C4' energy: -49.855 flat angles P-C4'-P energy: -24.443 tors. eta vs tors. theta energy: -10.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -293.424330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.424330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.424330 (E_RNA) where: Base-Base interactions energy: -110.773 where: short stacking energy: -99.791 Base-Backbone interact. energy: 2.117 local terms energy: -184.767660 where: bonds (distance) C4'-P energy: -46.875 bonds (distance) P-C4' energy: -46.185 flat angles C4'-P-C4' energy: -49.147 flat angles P-C4'-P energy: -37.978 tors. eta vs tors. theta energy: -4.583 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: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1136.311048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.311048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.311048 (E_RNA) where: Base-Base interactions energy: -743.289 where: short stacking energy: -352.550 Base-Backbone interact. energy: -2.119 local terms energy: -390.903535 where: bonds (distance) C4'-P energy: -79.698 bonds (distance) P-C4' energy: -69.198 flat angles C4'-P-C4' energy: -83.354 flat angles P-C4'-P energy: -61.558 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: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1088.107021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.107021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.107021 (E_RNA) where: Base-Base interactions energy: -729.143 where: short stacking energy: -317.834 Base-Backbone interact. energy: -1.869 local terms energy: -357.094316 where: bonds (distance) C4'-P energy: -68.326 bonds (distance) P-C4' energy: -77.232 flat angles C4'-P-C4' energy: -76.573 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -90.542 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: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -995.952950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.952950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.952950 (E_RNA) where: Base-Base interactions energy: -660.655 where: short stacking energy: -302.487 Base-Backbone interact. energy: -1.377 local terms energy: -333.920663 where: bonds (distance) C4'-P energy: -61.003 bonds (distance) P-C4' energy: -60.736 flat angles C4'-P-C4' energy: -72.165 flat angles P-C4'-P energy: -53.829 tors. eta vs tors. theta energy: -86.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -987.821265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.821265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.821265 (E_RNA) where: Base-Base interactions energy: -655.012 where: short stacking energy: -298.708 Base-Backbone interact. energy: 1.118 local terms energy: -333.926746 where: bonds (distance) C4'-P energy: -71.300 bonds (distance) P-C4' energy: -72.045 flat angles C4'-P-C4' energy: -70.740 flat angles P-C4'-P energy: -45.363 tors. eta vs tors. theta energy: -74.478 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: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -855.833157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.833157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.833157 (E_RNA) where: Base-Base interactions energy: -550.243 where: short stacking energy: -243.111 Base-Backbone interact. energy: -0.806 local terms energy: -304.784573 where: bonds (distance) C4'-P energy: -75.017 bonds (distance) P-C4' energy: -53.969 flat angles C4'-P-C4' energy: -74.416 flat angles P-C4'-P energy: -45.717 tors. eta vs tors. theta energy: -55.665 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: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -819.798721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.798721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.798721 (E_RNA) where: Base-Base interactions energy: -519.969 where: short stacking energy: -247.647 Base-Backbone interact. energy: -0.690 local terms energy: -299.140143 where: bonds (distance) C4'-P energy: -75.412 bonds (distance) P-C4' energy: -49.464 flat angles C4'-P-C4' energy: -74.242 flat angles P-C4'-P energy: -34.849 tors. eta vs tors. theta energy: -65.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -734.580540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.580540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.580540 (E_RNA) where: Base-Base interactions energy: -448.486 where: short stacking energy: -214.222 Base-Backbone interact. energy: -1.760 local terms energy: -284.334805 where: bonds (distance) C4'-P energy: -66.334 bonds (distance) P-C4' energy: -61.243 flat angles C4'-P-C4' energy: -68.493 flat angles P-C4'-P energy: -31.212 tors. eta vs tors. theta energy: -57.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -649.047952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.047952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.047952 (E_RNA) where: Base-Base interactions energy: -402.191 where: short stacking energy: -187.043 Base-Backbone interact. energy: -1.148 local terms energy: -245.708448 where: bonds (distance) C4'-P energy: -43.245 bonds (distance) P-C4' energy: -69.653 flat angles C4'-P-C4' energy: -54.129 flat angles P-C4'-P energy: -41.423 tors. eta vs tors. theta energy: -37.259 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: 6 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -407.658306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.658306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.658306 (E_RNA) where: Base-Base interactions energy: -216.136 where: short stacking energy: -125.317 Base-Backbone interact. energy: -1.561 local terms energy: -189.960730 where: bonds (distance) C4'-P energy: -41.170 bonds (distance) P-C4' energy: -57.536 flat angles C4'-P-C4' energy: -55.350 flat angles P-C4'-P energy: -31.700 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -318.817485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.817485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.817485 (E_RNA) where: Base-Base interactions energy: -127.584 where: short stacking energy: -90.064 Base-Backbone interact. energy: -0.786 local terms energy: -190.447550 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -56.171 flat angles C4'-P-C4' energy: -49.984 flat angles P-C4'-P energy: -30.196 tors. eta vs tors. theta energy: 0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1142.741905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.741905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.741905 (E_RNA) where: Base-Base interactions energy: -775.022 where: short stacking energy: -356.924 Base-Backbone interact. energy: -2.415 local terms energy: -365.304264 where: bonds (distance) C4'-P energy: -62.569 bonds (distance) P-C4' energy: -63.927 flat angles C4'-P-C4' energy: -72.551 flat angles P-C4'-P energy: -64.240 tors. eta vs tors. theta energy: -102.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1060.299181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.299181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.299181 (E_RNA) where: Base-Base interactions energy: -701.703 where: short stacking energy: -309.712 Base-Backbone interact. energy: 2.738 local terms energy: -361.334056 where: bonds (distance) C4'-P energy: -69.899 bonds (distance) P-C4' energy: -71.389 flat angles C4'-P-C4' energy: -84.858 flat angles P-C4'-P energy: -49.091 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: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1029.612809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.612809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.612809 (E_RNA) where: Base-Base interactions energy: -671.420 where: short stacking energy: -307.975 Base-Backbone interact. energy: -0.317 local terms energy: -357.875899 where: bonds (distance) C4'-P energy: -78.444 bonds (distance) P-C4' energy: -76.497 flat angles C4'-P-C4' energy: -65.997 flat angles P-C4'-P energy: -44.088 tors. eta vs tors. theta energy: -92.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1006.908825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.908825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.908825 (E_RNA) where: Base-Base interactions energy: -652.636 where: short stacking energy: -311.338 Base-Backbone interact. energy: -0.786 local terms energy: -353.486829 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -74.582 flat angles C4'-P-C4' energy: -78.291 flat angles P-C4'-P energy: -44.709 tors. eta vs tors. theta energy: -92.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -865.781080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.781080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.781080 (E_RNA) where: Base-Base interactions energy: -579.978 where: short stacking energy: -269.976 Base-Backbone interact. energy: -0.680 local terms energy: -285.122696 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -52.372 flat angles C4'-P-C4' energy: -69.211 flat angles P-C4'-P energy: -36.477 tors. eta vs tors. theta energy: -62.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -837.473951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.473951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.473951 (E_RNA) where: Base-Base interactions energy: -569.154 where: short stacking energy: -228.843 Base-Backbone interact. energy: -2.643 local terms energy: -265.676207 where: bonds (distance) C4'-P energy: -59.712 bonds (distance) P-C4' energy: -57.994 flat angles C4'-P-C4' energy: -65.380 flat angles P-C4'-P energy: -35.145 tors. eta vs tors. theta energy: -47.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -729.958502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.958502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.958502 (E_RNA) where: Base-Base interactions energy: -467.236 where: short stacking energy: -208.171 Base-Backbone interact. energy: 1.222 local terms energy: -263.944727 where: bonds (distance) C4'-P energy: -64.998 bonds (distance) P-C4' energy: -54.449 flat angles C4'-P-C4' energy: -61.174 flat angles P-C4'-P energy: -32.425 tors. eta vs tors. theta energy: -50.898 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: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -665.066181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.066181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.066181 (E_RNA) where: Base-Base interactions energy: -387.653 where: short stacking energy: -184.015 Base-Backbone interact. energy: 0.538 local terms energy: -277.950737 where: bonds (distance) C4'-P energy: -61.447 bonds (distance) P-C4' energy: -69.540 flat angles C4'-P-C4' energy: -67.295 flat angles P-C4'-P energy: -40.673 tors. eta vs tors. theta energy: -38.996 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: 9, replica: 6 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -402.620321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.620321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.620321 (E_RNA) where: Base-Base interactions energy: -185.999 where: short stacking energy: -107.083 Base-Backbone interact. energy: 1.219 local terms energy: -217.840097 where: bonds (distance) C4'-P energy: -70.842 bonds (distance) P-C4' energy: -67.068 flat angles C4'-P-C4' energy: -53.984 flat angles P-C4'-P energy: -20.009 tors. eta vs tors. theta energy: -5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -285.800309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.800309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.800309 (E_RNA) where: Base-Base interactions energy: -116.624 where: short stacking energy: -106.271 Base-Backbone interact. energy: 4.541 local terms energy: -173.717562 where: bonds (distance) C4'-P energy: -58.288 bonds (distance) P-C4' energy: -61.660 flat angles C4'-P-C4' energy: -45.735 flat angles P-C4'-P energy: -15.458 tors. eta vs tors. theta energy: 7.423 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: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1160.413334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.413334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.413334 (E_RNA) where: Base-Base interactions energy: -761.237 where: short stacking energy: -360.306 Base-Backbone interact. energy: -2.968 local terms energy: -396.208242 where: bonds (distance) C4'-P energy: -70.910 bonds (distance) P-C4' energy: -77.727 flat angles C4'-P-C4' energy: -82.583 flat angles P-C4'-P energy: -57.753 tors. eta vs tors. theta energy: -107.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1091.652808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.652808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.652808 (E_RNA) where: Base-Base interactions energy: -705.333 where: short stacking energy: -332.408 Base-Backbone interact. energy: -0.854 local terms energy: -385.466236 where: bonds (distance) C4'-P energy: -71.700 bonds (distance) P-C4' energy: -71.987 flat angles C4'-P-C4' energy: -86.499 flat angles P-C4'-P energy: -53.047 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: 3, replica: 1 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1040.554285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.554285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.554285 (E_RNA) where: Base-Base interactions energy: -698.804 where: short stacking energy: -324.696 Base-Backbone interact. energy: -1.659 local terms energy: -340.090689 where: bonds (distance) C4'-P energy: -62.013 bonds (distance) P-C4' energy: -68.414 flat angles C4'-P-C4' energy: -70.386 flat angles P-C4'-P energy: -51.929 tors. eta vs tors. theta energy: -87.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -883.515622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.515622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.515622 (E_RNA) where: Base-Base interactions energy: -563.335 where: short stacking energy: -274.401 Base-Backbone interact. energy: 2.924 local terms energy: -323.104106 where: bonds (distance) C4'-P energy: -57.314 bonds (distance) P-C4' energy: -75.679 flat angles C4'-P-C4' energy: -73.016 flat angles P-C4'-P energy: -49.138 tors. eta vs tors. theta energy: -67.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -937.355861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.355861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.355861 (E_RNA) where: Base-Base interactions energy: -617.763 where: short stacking energy: -277.107 Base-Backbone interact. energy: 1.078 local terms energy: -320.670924 where: bonds (distance) C4'-P energy: -58.684 bonds (distance) P-C4' energy: -69.694 flat angles C4'-P-C4' energy: -66.836 flat angles P-C4'-P energy: -46.331 tors. eta vs tors. theta energy: -79.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -879.994566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.994566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.994566 (E_RNA) where: Base-Base interactions energy: -580.739 where: short stacking energy: -246.156 Base-Backbone interact. energy: -2.131 local terms energy: -297.124572 where: bonds (distance) C4'-P energy: -68.762 bonds (distance) P-C4' energy: -62.855 flat angles C4'-P-C4' energy: -66.403 flat angles P-C4'-P energy: -46.702 tors. eta vs tors. theta energy: -52.403 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: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -736.109198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.109198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.109198 (E_RNA) where: Base-Base interactions energy: -469.089 where: short stacking energy: -202.856 Base-Backbone interact. energy: 0.300 local terms energy: -267.320469 where: bonds (distance) C4'-P energy: -56.015 bonds (distance) P-C4' energy: -61.014 flat angles C4'-P-C4' energy: -66.519 flat angles P-C4'-P energy: -38.485 tors. eta vs tors. theta energy: -45.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -669.511666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.511666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.511666 (E_RNA) where: Base-Base interactions energy: -423.064 where: short stacking energy: -189.110 Base-Backbone interact. energy: 0.459 local terms energy: -246.906804 where: bonds (distance) C4'-P energy: -58.307 bonds (distance) P-C4' energy: -57.329 flat angles C4'-P-C4' energy: -68.017 flat angles P-C4'-P energy: -30.205 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: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -424.302067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.302067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.302067 (E_RNA) where: Base-Base interactions energy: -213.516 where: short stacking energy: -127.384 Base-Backbone interact. energy: 2.635 local terms energy: -213.420278 where: bonds (distance) C4'-P energy: -61.143 bonds (distance) P-C4' energy: -50.511 flat angles C4'-P-C4' energy: -57.281 flat angles P-C4'-P energy: -34.664 tors. eta vs tors. theta energy: -9.821 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: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -326.062740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.062740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.062740 (E_RNA) where: Base-Base interactions energy: -120.400 where: short stacking energy: -77.398 Base-Backbone interact. energy: 5.790 local terms energy: -211.452177 where: bonds (distance) C4'-P energy: -64.399 bonds (distance) P-C4' energy: -56.051 flat angles C4'-P-C4' energy: -59.409 flat angles P-C4'-P energy: -39.445 tors. eta vs tors. theta energy: 7.853 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: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1146.611555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.611555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.611555 (E_RNA) where: Base-Base interactions energy: -764.415 where: short stacking energy: -352.379 Base-Backbone interact. energy: -3.312 local terms energy: -378.884586 where: bonds (distance) C4'-P energy: -69.030 bonds (distance) P-C4' energy: -68.109 flat angles C4'-P-C4' energy: -81.103 flat angles P-C4'-P energy: -55.614 tors. eta vs tors. theta energy: -105.028 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: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1075.802385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.802385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.802385 (E_RNA) where: Base-Base interactions energy: -716.923 where: short stacking energy: -334.566 Base-Backbone interact. energy: -0.003 local terms energy: -358.877049 where: bonds (distance) C4'-P energy: -66.557 bonds (distance) P-C4' energy: -73.750 flat angles C4'-P-C4' energy: -80.040 flat angles P-C4'-P energy: -46.347 tors. eta vs tors. theta energy: -92.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1044.844269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.844269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.844269 (E_RNA) where: Base-Base interactions energy: -703.548 where: short stacking energy: -303.285 Base-Backbone interact. energy: -2.886 local terms energy: -338.410206 where: bonds (distance) C4'-P energy: -73.774 bonds (distance) P-C4' energy: -73.976 flat angles C4'-P-C4' energy: -69.622 flat angles P-C4'-P energy: -43.026 tors. eta vs tors. theta energy: -78.012 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: 210 Temperature: 1.050000 Total energy: -901.187775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.187775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.187775 (E_RNA) where: Base-Base interactions energy: -586.808 where: short stacking energy: -283.524 Base-Backbone interact. energy: 1.010 local terms energy: -315.389646 where: bonds (distance) C4'-P energy: -61.980 bonds (distance) P-C4' energy: -68.480 flat angles C4'-P-C4' energy: -67.436 flat angles P-C4'-P energy: -45.918 tors. eta vs tors. theta energy: -71.576 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: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -958.262441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.262441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.262441 (E_RNA) where: Base-Base interactions energy: -644.610 where: short stacking energy: -292.530 Base-Backbone interact. energy: 2.004 local terms energy: -315.656331 where: bonds (distance) C4'-P energy: -55.162 bonds (distance) P-C4' energy: -58.587 flat angles C4'-P-C4' energy: -78.638 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -77.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -855.901425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.901425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.901425 (E_RNA) where: Base-Base interactions energy: -560.305 where: short stacking energy: -237.221 Base-Backbone interact. energy: 0.689 local terms energy: -296.286145 where: bonds (distance) C4'-P energy: -62.086 bonds (distance) P-C4' energy: -72.872 flat angles C4'-P-C4' energy: -64.916 flat angles P-C4'-P energy: -41.066 tors. eta vs tors. theta energy: -55.345 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: 7, replica: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -736.221488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.221488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.221488 (E_RNA) where: Base-Base interactions energy: -454.555 where: short stacking energy: -210.307 Base-Backbone interact. energy: -1.416 local terms energy: -280.251087 where: bonds (distance) C4'-P energy: -67.276 bonds (distance) P-C4' energy: -62.538 flat angles C4'-P-C4' energy: -74.687 flat angles P-C4'-P energy: -41.661 tors. eta vs tors. theta energy: -34.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -641.357537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.357537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.357537 (E_RNA) where: Base-Base interactions energy: -384.224 where: short stacking energy: -201.514 Base-Backbone interact. energy: -0.753 local terms energy: -256.380230 where: bonds (distance) C4'-P energy: -71.811 bonds (distance) P-C4' energy: -60.351 flat angles C4'-P-C4' energy: -64.350 flat angles P-C4'-P energy: -29.920 tors. eta vs tors. theta energy: -29.948 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: 9, replica: 6 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -428.225819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.225819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.225819 (E_RNA) where: Base-Base interactions energy: -223.408 where: short stacking energy: -119.009 Base-Backbone interact. energy: 1.806 local terms energy: -206.623177 where: bonds (distance) C4'-P energy: -45.345 bonds (distance) P-C4' energy: -58.154 flat angles C4'-P-C4' energy: -46.540 flat angles P-C4'-P energy: -45.906 tors. eta vs tors. theta energy: -10.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -291.626118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.626118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.626118 (E_RNA) where: Base-Base interactions energy: -94.286 where: short stacking energy: -72.006 Base-Backbone interact. energy: -0.745 local terms energy: -196.595926 where: bonds (distance) C4'-P energy: -56.706 bonds (distance) P-C4' energy: -72.965 flat angles C4'-P-C4' energy: -50.205 flat angles P-C4'-P energy: -22.596 tors. eta vs tors. theta energy: 5.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1127.553453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.553453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.553453 (E_RNA) where: Base-Base interactions energy: -747.686 where: short stacking energy: -336.083 Base-Backbone interact. energy: -0.839 local terms energy: -379.028785 where: bonds (distance) C4'-P energy: -77.582 bonds (distance) P-C4' energy: -67.472 flat angles C4'-P-C4' energy: -81.162 flat angles P-C4'-P energy: -47.582 tors. eta vs tors. theta energy: -105.231 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: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1105.583640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.583640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.583640 (E_RNA) where: Base-Base interactions energy: -729.474 where: short stacking energy: -360.124 Base-Backbone interact. energy: -0.523 local terms energy: -375.586472 where: bonds (distance) C4'-P energy: -62.730 bonds (distance) P-C4' energy: -67.633 flat angles C4'-P-C4' energy: -83.529 flat angles P-C4'-P energy: -53.814 tors. eta vs tors. theta energy: -107.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1035.738768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.738768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.738768 (E_RNA) where: Base-Base interactions energy: -692.870 where: short stacking energy: -301.064 Base-Backbone interact. energy: -1.791 local terms energy: -341.077908 where: bonds (distance) C4'-P energy: -64.470 bonds (distance) P-C4' energy: -78.319 flat angles C4'-P-C4' energy: -65.973 flat angles P-C4'-P energy: -48.627 tors. eta vs tors. theta energy: -83.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -989.734250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.734250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.734250 (E_RNA) where: Base-Base interactions energy: -666.213 where: short stacking energy: -294.997 Base-Backbone interact. energy: -1.441 local terms energy: -322.079591 where: bonds (distance) C4'-P energy: -65.354 bonds (distance) P-C4' energy: -66.070 flat angles C4'-P-C4' energy: -62.697 flat angles P-C4'-P energy: -48.501 tors. eta vs tors. theta energy: -79.457 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: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -850.417284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.417284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.417284 (E_RNA) where: Base-Base interactions energy: -543.030 where: short stacking energy: -236.858 Base-Backbone interact. energy: 0.380 local terms energy: -307.767907 where: bonds (distance) C4'-P energy: -60.823 bonds (distance) P-C4' energy: -69.553 flat angles C4'-P-C4' energy: -60.063 flat angles P-C4'-P energy: -44.500 tors. eta vs tors. theta energy: -72.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -852.610861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.610861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.610861 (E_RNA) where: Base-Base interactions energy: -561.328 where: short stacking energy: -236.711 Base-Backbone interact. energy: -1.575 local terms energy: -289.707606 where: bonds (distance) C4'-P energy: -64.509 bonds (distance) P-C4' energy: -56.740 flat angles C4'-P-C4' energy: -64.196 flat angles P-C4'-P energy: -50.253 tors. eta vs tors. theta energy: -54.009 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: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -726.698541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.698541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.698541 (E_RNA) where: Base-Base interactions energy: -487.282 where: short stacking energy: -218.301 Base-Backbone interact. energy: -1.931 local terms energy: -237.485113 where: bonds (distance) C4'-P energy: -57.629 bonds (distance) P-C4' energy: -60.811 flat angles C4'-P-C4' energy: -51.303 flat angles P-C4'-P energy: -27.973 tors. eta vs tors. theta energy: -39.770 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: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -644.650530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.650530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.650530 (E_RNA) where: Base-Base interactions energy: -387.850 where: short stacking energy: -182.644 Base-Backbone interact. energy: 1.147 local terms energy: -257.947218 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -56.769 flat angles P-C4'-P energy: -31.033 tors. eta vs tors. theta energy: -37.861 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: 9, replica: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -436.651936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.651936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.651936 (E_RNA) where: Base-Base interactions energy: -221.815 where: short stacking energy: -124.226 Base-Backbone interact. energy: 0.631 local terms energy: -215.467548 where: bonds (distance) C4'-P energy: -59.929 bonds (distance) P-C4' energy: -54.853 flat angles C4'-P-C4' energy: -59.927 flat angles P-C4'-P energy: -33.862 tors. eta vs tors. theta energy: -6.896 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: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -275.961224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.961224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.961224 (E_RNA) where: Base-Base interactions energy: -93.659 where: short stacking energy: -76.496 Base-Backbone interact. energy: -0.585 local terms energy: -181.717689 where: bonds (distance) C4'-P energy: -46.692 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -52.483 flat angles P-C4'-P energy: -27.080 tors. eta vs tors. theta energy: 9.974 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: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1143.756445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.756445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.756445 (E_RNA) where: Base-Base interactions energy: -740.877 where: short stacking energy: -372.725 Base-Backbone interact. energy: -2.743 local terms energy: -400.136401 where: bonds (distance) C4'-P energy: -73.588 bonds (distance) P-C4' energy: -74.928 flat angles C4'-P-C4' energy: -79.841 flat angles P-C4'-P energy: -62.132 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: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1103.674299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.674299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.674299 (E_RNA) where: Base-Base interactions energy: -725.476 where: short stacking energy: -343.879 Base-Backbone interact. energy: 0.568 local terms energy: -378.766319 where: bonds (distance) C4'-P energy: -77.016 bonds (distance) P-C4' energy: -71.876 flat angles C4'-P-C4' energy: -75.992 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -102.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -982.974909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.974909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.974909 (E_RNA) where: Base-Base interactions energy: -649.565 where: short stacking energy: -317.057 Base-Backbone interact. energy: -1.434 local terms energy: -331.975601 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -58.470 flat angles C4'-P-C4' energy: -74.263 flat angles P-C4'-P energy: -47.171 tors. eta vs tors. theta energy: -88.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1005.091434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.091434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.091434 (E_RNA) where: Base-Base interactions energy: -695.567 where: short stacking energy: -293.598 Base-Backbone interact. energy: 0.395 local terms energy: -309.918977 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -65.515 flat angles C4'-P-C4' energy: -69.130 flat angles P-C4'-P energy: -37.397 tors. eta vs tors. theta energy: -77.281 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: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -841.165608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.165608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.165608 (E_RNA) where: Base-Base interactions energy: -540.362 where: short stacking energy: -241.128 Base-Backbone interact. energy: 1.007 local terms energy: -301.810546 where: bonds (distance) C4'-P energy: -60.546 bonds (distance) P-C4' energy: -62.162 flat angles C4'-P-C4' energy: -62.687 flat angles P-C4'-P energy: -51.658 tors. eta vs tors. theta energy: -64.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -849.485137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.485137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.485137 (E_RNA) where: Base-Base interactions energy: -568.097 where: short stacking energy: -251.432 Base-Backbone interact. energy: 2.059 local terms energy: -283.447517 where: bonds (distance) C4'-P energy: -53.159 bonds (distance) P-C4' energy: -54.757 flat angles C4'-P-C4' energy: -69.297 flat angles P-C4'-P energy: -45.736 tors. eta vs tors. theta energy: -60.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -767.249965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.249965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.249965 (E_RNA) where: Base-Base interactions energy: -468.336 where: short stacking energy: -226.233 Base-Backbone interact. energy: -0.359 local terms energy: -298.554240 where: bonds (distance) C4'-P energy: -59.201 bonds (distance) P-C4' energy: -74.083 flat angles C4'-P-C4' energy: -68.544 flat angles P-C4'-P energy: -39.902 tors. eta vs tors. theta energy: -56.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -604.210883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.210883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.210883 (E_RNA) where: Base-Base interactions energy: -350.094 where: short stacking energy: -174.347 Base-Backbone interact. energy: -2.185 local terms energy: -251.932168 where: bonds (distance) C4'-P energy: -59.085 bonds (distance) P-C4' energy: -66.192 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -30.311 tors. eta vs tors. theta energy: -27.294 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: 6 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -437.776654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.776654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.776654 (E_RNA) where: Base-Base interactions energy: -240.387 where: short stacking energy: -138.145 Base-Backbone interact. energy: -0.136 local terms energy: -197.254411 where: bonds (distance) C4'-P energy: -47.724 bonds (distance) P-C4' energy: -58.614 flat angles C4'-P-C4' energy: -47.311 flat angles P-C4'-P energy: -31.707 tors. eta vs tors. theta energy: -11.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -322.012137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.012137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.012137 (E_RNA) where: Base-Base interactions energy: -127.975 where: short stacking energy: -112.961 Base-Backbone interact. energy: -1.903 local terms energy: -192.133853 where: bonds (distance) C4'-P energy: -61.762 bonds (distance) P-C4' energy: -48.910 flat angles C4'-P-C4' energy: -52.256 flat angles P-C4'-P energy: -19.009 tors. eta vs tors. theta energy: -10.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1141.836990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.836990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.836990 (E_RNA) where: Base-Base interactions energy: -757.998 where: short stacking energy: -377.192 Base-Backbone interact. energy: -1.002 local terms energy: -382.837067 where: bonds (distance) C4'-P energy: -65.619 bonds (distance) P-C4' energy: -69.988 flat angles C4'-P-C4' energy: -83.730 flat angles P-C4'-P energy: -52.780 tors. eta vs tors. theta energy: -110.721 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: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1094.413201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.413201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.413201 (E_RNA) where: Base-Base interactions energy: -713.787 where: short stacking energy: -344.544 Base-Backbone interact. energy: -0.209 local terms energy: -380.417406 where: bonds (distance) C4'-P energy: -60.736 bonds (distance) P-C4' energy: -75.509 flat angles C4'-P-C4' energy: -80.324 flat angles P-C4'-P energy: -59.343 tors. eta vs tors. theta energy: -104.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -984.508039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.508039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.508039 (E_RNA) where: Base-Base interactions energy: -652.130 where: short stacking energy: -299.088 Base-Backbone interact. energy: -0.887 local terms energy: -331.491236 where: bonds (distance) C4'-P energy: -59.101 bonds (distance) P-C4' energy: -73.816 flat angles C4'-P-C4' energy: -74.009 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: -79.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -996.700501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.700501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.700501 (E_RNA) where: Base-Base interactions energy: -678.293 where: short stacking energy: -278.267 Base-Backbone interact. energy: -2.337 local terms energy: -316.069936 where: bonds (distance) C4'-P energy: -62.132 bonds (distance) P-C4' energy: -65.963 flat angles C4'-P-C4' energy: -70.276 flat angles P-C4'-P energy: -44.732 tors. eta vs tors. theta energy: -72.967 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: 213 Temperature: 1.100000 Total energy: -875.151794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.151794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.151794 (E_RNA) where: Base-Base interactions energy: -568.060 where: short stacking energy: -243.595 Base-Backbone interact. energy: -1.371 local terms energy: -305.719889 where: bonds (distance) C4'-P energy: -74.036 bonds (distance) P-C4' energy: -65.770 flat angles C4'-P-C4' energy: -60.524 flat angles P-C4'-P energy: -40.300 tors. eta vs tors. theta energy: -65.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -854.560793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.560793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.560793 (E_RNA) where: Base-Base interactions energy: -564.008 where: short stacking energy: -259.127 Base-Backbone interact. energy: -1.655 local terms energy: -288.897545 where: bonds (distance) C4'-P energy: -61.361 bonds (distance) P-C4' energy: -61.754 flat angles C4'-P-C4' energy: -63.812 flat angles P-C4'-P energy: -41.303 tors. eta vs tors. theta energy: -60.667 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: 213 Temperature: 1.200000 Total energy: -686.157522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.157522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.157522 (E_RNA) where: Base-Base interactions energy: -428.593 where: short stacking energy: -190.276 Base-Backbone interact. energy: -1.486 local terms energy: -256.077963 where: bonds (distance) C4'-P energy: -66.381 bonds (distance) P-C4' energy: -62.699 flat angles C4'-P-C4' energy: -60.907 flat angles P-C4'-P energy: -25.946 tors. eta vs tors. theta energy: -40.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -659.559827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.559827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.559827 (E_RNA) where: Base-Base interactions energy: -411.283 where: short stacking energy: -213.451 Base-Backbone interact. energy: 4.372 local terms energy: -252.648737 where: bonds (distance) C4'-P energy: -44.562 bonds (distance) P-C4' energy: -55.355 flat angles C4'-P-C4' energy: -59.775 flat angles P-C4'-P energy: -39.204 tors. eta vs tors. theta energy: -53.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -439.023036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.023036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.023036 (E_RNA) where: Base-Base interactions energy: -220.559 where: short stacking energy: -131.142 Base-Backbone interact. energy: -0.934 local terms energy: -217.529975 where: bonds (distance) C4'-P energy: -59.893 bonds (distance) P-C4' energy: -50.549 flat angles C4'-P-C4' energy: -52.313 flat angles P-C4'-P energy: -31.109 tors. eta vs tors. theta energy: -23.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -280.661831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.661831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.661831 (E_RNA) where: Base-Base interactions energy: -103.574 where: short stacking energy: -80.510 Base-Backbone interact. energy: -1.188 local terms energy: -175.900016 where: bonds (distance) C4'-P energy: -52.354 bonds (distance) P-C4' energy: -49.771 flat angles C4'-P-C4' energy: -59.972 flat angles P-C4'-P energy: -29.156 tors. eta vs tors. theta energy: 15.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1139.799770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.799770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.799770 (E_RNA) where: Base-Base interactions energy: -763.612 where: short stacking energy: -353.418 Base-Backbone interact. energy: -0.903 local terms energy: -375.285226 where: bonds (distance) C4'-P energy: -77.235 bonds (distance) P-C4' energy: -65.592 flat angles C4'-P-C4' energy: -79.855 flat angles P-C4'-P energy: -56.936 tors. eta vs tors. theta energy: -95.668 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: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1100.275871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.275871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.275871 (E_RNA) where: Base-Base interactions energy: -730.394 where: short stacking energy: -340.788 Base-Backbone interact. energy: -0.733 local terms energy: -369.149257 where: bonds (distance) C4'-P energy: -68.105 bonds (distance) P-C4' energy: -68.116 flat angles C4'-P-C4' energy: -74.160 flat angles P-C4'-P energy: -52.218 tors. eta vs tors. theta energy: -106.550 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: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1058.848934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.848934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.848934 (E_RNA) where: Base-Base interactions energy: -705.047 where: short stacking energy: -320.658 Base-Backbone interact. energy: -0.856 local terms energy: -352.945923 where: bonds (distance) C4'-P energy: -67.100 bonds (distance) P-C4' energy: -69.473 flat angles C4'-P-C4' energy: -78.317 flat angles P-C4'-P energy: -54.864 tors. eta vs tors. theta energy: -83.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -959.878942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.878942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.878942 (E_RNA) where: Base-Base interactions energy: -624.987 where: short stacking energy: -299.362 Base-Backbone interact. energy: 0.605 local terms energy: -335.496569 where: bonds (distance) C4'-P energy: -72.802 bonds (distance) P-C4' energy: -59.896 flat angles C4'-P-C4' energy: -71.354 flat angles P-C4'-P energy: -51.133 tors. eta vs tors. theta energy: -80.312 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: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -878.076466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.076466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.076466 (E_RNA) where: Base-Base interactions energy: -576.895 where: short stacking energy: -267.691 Base-Backbone interact. energy: 0.374 local terms energy: -301.555006 where: bonds (distance) C4'-P energy: -56.994 bonds (distance) P-C4' energy: -65.279 flat angles C4'-P-C4' energy: -63.617 flat angles P-C4'-P energy: -49.756 tors. eta vs tors. theta energy: -65.910 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: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -832.455648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.455648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.455648 (E_RNA) where: Base-Base interactions energy: -539.573 where: short stacking energy: -223.550 Base-Backbone interact. energy: -0.435 local terms energy: -292.447731 where: bonds (distance) C4'-P energy: -65.726 bonds (distance) P-C4' energy: -55.558 flat angles C4'-P-C4' energy: -68.632 flat angles P-C4'-P energy: -56.720 tors. eta vs tors. theta energy: -45.811 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: 214 Temperature: 1.200000 Total energy: -714.788997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.788997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.788997 (E_RNA) where: Base-Base interactions energy: -437.673 where: short stacking energy: -204.742 Base-Backbone interact. energy: 0.585 local terms energy: -277.700766 where: bonds (distance) C4'-P energy: -50.741 bonds (distance) P-C4' energy: -59.881 flat angles C4'-P-C4' energy: -71.036 flat angles P-C4'-P energy: -40.494 tors. eta vs tors. theta energy: -55.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -652.989193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.989193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.989193 (E_RNA) where: Base-Base interactions energy: -387.588 where: short stacking energy: -175.761 Base-Backbone interact. energy: -1.616 local terms energy: -263.785266 where: bonds (distance) C4'-P energy: -61.654 bonds (distance) P-C4' energy: -64.628 flat angles C4'-P-C4' energy: -61.779 flat angles P-C4'-P energy: -50.003 tors. eta vs tors. theta energy: -25.722 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: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -508.920370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.920370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.920370 (E_RNA) where: Base-Base interactions energy: -292.983 where: short stacking energy: -154.258 Base-Backbone interact. energy: -0.281 local terms energy: -215.656179 where: bonds (distance) C4'-P energy: -41.684 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -59.164 flat angles P-C4'-P energy: -35.262 tors. eta vs tors. theta energy: -17.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -272.096421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.096421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.096421 (E_RNA) where: Base-Base interactions energy: -80.570 where: short stacking energy: -59.995 Base-Backbone interact. energy: -2.364 local terms energy: -189.161850 where: bonds (distance) C4'-P energy: -60.134 bonds (distance) P-C4' energy: -60.784 flat angles C4'-P-C4' energy: -52.824 flat angles P-C4'-P energy: -37.383 tors. eta vs tors. theta energy: 21.963 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: 4 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1114.701238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.701238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.701238 (E_RNA) where: Base-Base interactions energy: -733.498 where: short stacking energy: -342.633 Base-Backbone interact. energy: -2.969 local terms energy: -378.234286 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -66.543 flat angles C4'-P-C4' energy: -87.715 flat angles P-C4'-P energy: -53.004 tors. eta vs tors. theta energy: -94.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1125.447158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.447158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.447158 (E_RNA) where: Base-Base interactions energy: -742.525 where: short stacking energy: -365.480 Base-Backbone interact. energy: -0.650 local terms energy: -382.272064 where: bonds (distance) C4'-P energy: -74.879 bonds (distance) P-C4' energy: -63.096 flat angles C4'-P-C4' energy: -82.130 flat angles P-C4'-P energy: -48.948 tors. eta vs tors. theta energy: -113.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1009.590824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.590824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.590824 (E_RNA) where: Base-Base interactions energy: -683.145 where: short stacking energy: -294.773 Base-Backbone interact. energy: -1.336 local terms energy: -325.109754 where: bonds (distance) C4'-P energy: -60.540 bonds (distance) P-C4' energy: -65.583 flat angles C4'-P-C4' energy: -69.867 flat angles P-C4'-P energy: -50.983 tors. eta vs tors. theta energy: -78.137 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: 215 Temperature: 1.050000 Total energy: -966.534041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.534041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.534041 (E_RNA) where: Base-Base interactions energy: -641.741 where: short stacking energy: -286.833 Base-Backbone interact. energy: -1.741 local terms energy: -323.051910 where: bonds (distance) C4'-P energy: -63.920 bonds (distance) P-C4' energy: -74.686 flat angles C4'-P-C4' energy: -68.305 flat angles P-C4'-P energy: -44.185 tors. eta vs tors. theta energy: -71.955 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: 215 Temperature: 1.100000 Total energy: -852.288829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.288829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.288829 (E_RNA) where: Base-Base interactions energy: -547.350 where: short stacking energy: -242.879 Base-Backbone interact. energy: -0.975 local terms energy: -303.963269 where: bonds (distance) C4'-P energy: -77.807 bonds (distance) P-C4' energy: -58.806 flat angles C4'-P-C4' energy: -67.626 flat angles P-C4'-P energy: -40.857 tors. eta vs tors. theta energy: -58.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -826.285912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.285912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.285912 (E_RNA) where: Base-Base interactions energy: -520.598 where: short stacking energy: -222.122 Base-Backbone interact. energy: -1.332 local terms energy: -304.356214 where: bonds (distance) C4'-P energy: -64.262 bonds (distance) P-C4' energy: -69.382 flat angles C4'-P-C4' energy: -67.599 flat angles P-C4'-P energy: -56.731 tors. eta vs tors. theta energy: -46.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -701.037486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.037486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.037486 (E_RNA) where: Base-Base interactions energy: -417.662 where: short stacking energy: -209.101 Base-Backbone interact. energy: 1.124 local terms energy: -284.498771 where: bonds (distance) C4'-P energy: -62.371 bonds (distance) P-C4' energy: -61.481 flat angles C4'-P-C4' energy: -76.482 flat angles P-C4'-P energy: -39.041 tors. eta vs tors. theta energy: -45.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -680.624160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.624160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.624160 (E_RNA) where: Base-Base interactions energy: -417.009 where: short stacking energy: -193.847 Base-Backbone interact. energy: 4.339 local terms energy: -267.954219 where: bonds (distance) C4'-P energy: -59.007 bonds (distance) P-C4' energy: -59.880 flat angles C4'-P-C4' energy: -62.544 flat angles P-C4'-P energy: -35.651 tors. eta vs tors. theta energy: -50.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -541.118844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.118844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.118844 (E_RNA) where: Base-Base interactions energy: -313.691 where: short stacking energy: -168.843 Base-Backbone interact. energy: -1.332 local terms energy: -226.095328 where: bonds (distance) C4'-P energy: -56.730 bonds (distance) P-C4' energy: -64.365 flat angles C4'-P-C4' energy: -54.512 flat angles P-C4'-P energy: -24.768 tors. eta vs tors. theta energy: -25.720 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: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -297.464098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.464098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.464098 (E_RNA) where: Base-Base interactions energy: -121.877 where: short stacking energy: -84.669 Base-Backbone interact. energy: -0.715 local terms energy: -174.872325 where: bonds (distance) C4'-P energy: -46.139 bonds (distance) P-C4' energy: -59.920 flat angles C4'-P-C4' energy: -52.020 flat angles P-C4'-P energy: -22.636 tors. eta vs tors. theta energy: 5.843 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: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1138.575244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.575244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.575244 (E_RNA) where: Base-Base interactions energy: -761.399 where: short stacking energy: -356.322 Base-Backbone interact. energy: -0.738 local terms energy: -376.438912 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -69.820 flat angles C4'-P-C4' energy: -82.371 flat angles P-C4'-P energy: -51.288 tors. eta vs tors. theta energy: -108.705 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: 2, replica: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1074.135480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.135480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.135480 (E_RNA) where: Base-Base interactions energy: -734.639 where: short stacking energy: -334.241 Base-Backbone interact. energy: -1.660 local terms energy: -337.836366 where: bonds (distance) C4'-P energy: -58.674 bonds (distance) P-C4' energy: -67.592 flat angles C4'-P-C4' energy: -74.913 flat angles P-C4'-P energy: -49.092 tors. eta vs tors. theta energy: -87.565 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: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -995.395694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.395694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.395694 (E_RNA) where: Base-Base interactions energy: -673.742 where: short stacking energy: -317.218 Base-Backbone interact. energy: -1.815 local terms energy: -319.838292 where: bonds (distance) C4'-P energy: -53.395 bonds (distance) P-C4' energy: -58.690 flat angles C4'-P-C4' energy: -69.171 flat angles P-C4'-P energy: -57.938 tors. eta vs tors. theta energy: -80.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -980.578662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.578662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.578662 (E_RNA) where: Base-Base interactions energy: -650.450 where: short stacking energy: -307.504 Base-Backbone interact. energy: -0.196 local terms energy: -329.933420 where: bonds (distance) C4'-P energy: -62.376 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -79.168 flat angles P-C4'-P energy: -42.451 tors. eta vs tors. theta energy: -81.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -884.600507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.600507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.600507 (E_RNA) where: Base-Base interactions energy: -584.094 where: short stacking energy: -256.554 Base-Backbone interact. energy: -0.710 local terms energy: -299.796665 where: bonds (distance) C4'-P energy: -57.502 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -75.713 flat angles P-C4'-P energy: -47.267 tors. eta vs tors. theta energy: -58.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -752.222740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.222740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.222740 (E_RNA) where: Base-Base interactions energy: -495.007 where: short stacking energy: -213.597 Base-Backbone interact. energy: -1.511 local terms energy: -255.704766 where: bonds (distance) C4'-P energy: -55.966 bonds (distance) P-C4' energy: -55.183 flat angles C4'-P-C4' energy: -64.072 flat angles P-C4'-P energy: -41.047 tors. eta vs tors. theta energy: -39.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -717.801739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.801739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.801739 (E_RNA) where: Base-Base interactions energy: -462.084 where: short stacking energy: -202.289 Base-Backbone interact. energy: -0.147 local terms energy: -255.571568 where: bonds (distance) C4'-P energy: -43.173 bonds (distance) P-C4' energy: -63.152 flat angles C4'-P-C4' energy: -63.599 flat angles P-C4'-P energy: -33.993 tors. eta vs tors. theta energy: -51.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -642.662711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.662711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.662711 (E_RNA) where: Base-Base interactions energy: -406.146 where: short stacking energy: -188.185 Base-Backbone interact. energy: 0.340 local terms energy: -236.856674 where: bonds (distance) C4'-P energy: -44.656 bonds (distance) P-C4' energy: -65.702 flat angles C4'-P-C4' energy: -53.841 flat angles P-C4'-P energy: -37.482 tors. eta vs tors. theta energy: -35.176 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: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -507.263837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.263837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.263837 (E_RNA) where: Base-Base interactions energy: -278.147 where: short stacking energy: -142.172 Base-Backbone interact. energy: 1.114 local terms energy: -230.230678 where: bonds (distance) C4'-P energy: -65.697 bonds (distance) P-C4' energy: -60.491 flat angles C4'-P-C4' energy: -56.315 flat angles P-C4'-P energy: -32.021 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -282.703974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.703974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.703974 (E_RNA) where: Base-Base interactions energy: -111.226 where: short stacking energy: -79.667 Base-Backbone interact. energy: 1.512 local terms energy: -172.989766 where: bonds (distance) C4'-P energy: -61.559 bonds (distance) P-C4' energy: -56.886 flat angles C4'-P-C4' energy: -52.035 flat angles P-C4'-P energy: -14.398 tors. eta vs tors. theta energy: 11.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1138.708612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.708612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.708612 (E_RNA) where: Base-Base interactions energy: -758.261 where: short stacking energy: -371.259 Base-Backbone interact. energy: -0.894 local terms energy: -379.553599 where: bonds (distance) C4'-P energy: -73.472 bonds (distance) P-C4' energy: -70.282 flat angles C4'-P-C4' energy: -79.731 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: -106.279 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: 4 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1118.343401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.343401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.343401 (E_RNA) where: Base-Base interactions energy: -747.687 where: short stacking energy: -362.194 Base-Backbone interact. energy: -1.941 local terms energy: -368.715810 where: bonds (distance) C4'-P energy: -72.728 bonds (distance) P-C4' energy: -70.817 flat angles C4'-P-C4' energy: -67.840 flat angles P-C4'-P energy: -52.434 tors. eta vs tors. theta energy: -104.896 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: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1013.319789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.319789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.319789 (E_RNA) where: Base-Base interactions energy: -671.865 where: short stacking energy: -327.240 Base-Backbone interact. energy: -0.584 local terms energy: -340.870736 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -69.540 flat angles C4'-P-C4' energy: -75.440 flat angles P-C4'-P energy: -36.672 tors. eta vs tors. theta energy: -94.924 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: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1013.704669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.704669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.704669 (E_RNA) where: Base-Base interactions energy: -670.023 where: short stacking energy: -296.349 Base-Backbone interact. energy: -1.727 local terms energy: -341.954555 where: bonds (distance) C4'-P energy: -68.466 bonds (distance) P-C4' energy: -70.334 flat angles C4'-P-C4' energy: -73.327 flat angles P-C4'-P energy: -49.534 tors. eta vs tors. theta energy: -80.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -865.316653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.316653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.316653 (E_RNA) where: Base-Base interactions energy: -562.879 where: short stacking energy: -257.562 Base-Backbone interact. energy: 1.466 local terms energy: -303.903650 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -60.271 flat angles C4'-P-C4' energy: -71.890 flat angles P-C4'-P energy: -46.289 tors. eta vs tors. theta energy: -61.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -761.426359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.426359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.426359 (E_RNA) where: Base-Base interactions energy: -480.737 where: short stacking energy: -232.039 Base-Backbone interact. energy: -1.595 local terms energy: -279.094324 where: bonds (distance) C4'-P energy: -53.461 bonds (distance) P-C4' energy: -68.989 flat angles C4'-P-C4' energy: -59.814 flat angles P-C4'-P energy: -35.740 tors. eta vs tors. theta energy: -61.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -744.694146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.694146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.694146 (E_RNA) where: Base-Base interactions energy: -485.984 where: short stacking energy: -201.203 Base-Backbone interact. energy: -1.132 local terms energy: -257.578659 where: bonds (distance) C4'-P energy: -63.145 bonds (distance) P-C4' energy: -67.784 flat angles C4'-P-C4' energy: -62.249 flat angles P-C4'-P energy: -35.558 tors. eta vs tors. theta energy: -28.842 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: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -635.135653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.135653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.135653 (E_RNA) where: Base-Base interactions energy: -374.734 where: short stacking energy: -188.447 Base-Backbone interact. energy: -0.494 local terms energy: -259.907398 where: bonds (distance) C4'-P energy: -55.667 bonds (distance) P-C4' energy: -69.961 flat angles C4'-P-C4' energy: -52.464 flat angles P-C4'-P energy: -45.748 tors. eta vs tors. theta energy: -36.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -511.955990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.955990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.955990 (E_RNA) where: Base-Base interactions energy: -297.537 where: short stacking energy: -163.967 Base-Backbone interact. energy: -1.371 local terms energy: -213.048042 where: bonds (distance) C4'-P energy: -53.306 bonds (distance) P-C4' energy: -64.662 flat angles C4'-P-C4' energy: -52.368 flat angles P-C4'-P energy: -15.611 tors. eta vs tors. theta energy: -27.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -300.754024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.754024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.754024 (E_RNA) where: Base-Base interactions energy: -118.000 where: short stacking energy: -104.738 Base-Backbone interact. energy: -0.591 local terms energy: -182.163645 where: bonds (distance) C4'-P energy: -64.070 bonds (distance) P-C4' energy: -57.918 flat angles C4'-P-C4' energy: -44.642 flat angles P-C4'-P energy: -17.381 tors. eta vs tors. theta energy: 1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1121.866491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.866491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.866491 (E_RNA) where: Base-Base interactions energy: -735.805 where: short stacking energy: -344.253 Base-Backbone interact. energy: -2.889 local terms energy: -383.172333 where: bonds (distance) C4'-P energy: -82.306 bonds (distance) P-C4' energy: -71.530 flat angles C4'-P-C4' energy: -65.700 flat angles P-C4'-P energy: -63.009 tors. eta vs tors. theta energy: -100.627 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: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1122.402943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.402943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.402943 (E_RNA) where: Base-Base interactions energy: -728.895 where: short stacking energy: -352.026 Base-Backbone interact. energy: -0.777 local terms energy: -392.731378 where: bonds (distance) C4'-P energy: -78.602 bonds (distance) P-C4' energy: -77.955 flat angles C4'-P-C4' energy: -80.239 flat angles P-C4'-P energy: -54.014 tors. eta vs tors. theta energy: -101.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1026.349168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.349168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.349168 (E_RNA) where: Base-Base interactions energy: -690.312 where: short stacking energy: -293.232 Base-Backbone interact. energy: 0.692 local terms energy: -336.729251 where: bonds (distance) C4'-P energy: -61.711 bonds (distance) P-C4' energy: -65.168 flat angles C4'-P-C4' energy: -74.971 flat angles P-C4'-P energy: -54.657 tors. eta vs tors. theta energy: -80.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -973.660104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.660104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.660104 (E_RNA) where: Base-Base interactions energy: -642.830 where: short stacking energy: -308.223 Base-Backbone interact. energy: -2.331 local terms energy: -328.498660 where: bonds (distance) C4'-P energy: -63.147 bonds (distance) P-C4' energy: -70.251 flat angles C4'-P-C4' energy: -69.468 flat angles P-C4'-P energy: -45.459 tors. eta vs tors. theta energy: -80.174 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: 218 Temperature: 1.100000 Total energy: -862.964642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.964642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.964642 (E_RNA) where: Base-Base interactions energy: -564.085 where: short stacking energy: -263.068 Base-Backbone interact. energy: 0.009 local terms energy: -298.888857 where: bonds (distance) C4'-P energy: -66.643 bonds (distance) P-C4' energy: -60.023 flat angles C4'-P-C4' energy: -61.489 flat angles P-C4'-P energy: -54.821 tors. eta vs tors. theta energy: -55.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -773.666433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.666433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.666433 (E_RNA) where: Base-Base interactions energy: -478.623 where: short stacking energy: -240.004 Base-Backbone interact. energy: -1.470 local terms energy: -293.573670 where: bonds (distance) C4'-P energy: -65.975 bonds (distance) P-C4' energy: -70.098 flat angles C4'-P-C4' energy: -71.232 flat angles P-C4'-P energy: -26.392 tors. eta vs tors. theta energy: -59.876 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: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -711.846153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.846153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.846153 (E_RNA) where: Base-Base interactions energy: -463.627 where: short stacking energy: -213.249 Base-Backbone interact. energy: -1.071 local terms energy: -247.148218 where: bonds (distance) C4'-P energy: -51.220 bonds (distance) P-C4' energy: -50.045 flat angles C4'-P-C4' energy: -48.658 flat angles P-C4'-P energy: -51.122 tors. eta vs tors. theta energy: -46.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -608.691055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.691055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.691055 (E_RNA) where: Base-Base interactions energy: -347.772 where: short stacking energy: -168.968 Base-Backbone interact. energy: 0.204 local terms energy: -261.122604 where: bonds (distance) C4'-P energy: -63.688 bonds (distance) P-C4' energy: -55.436 flat angles C4'-P-C4' energy: -53.752 flat angles P-C4'-P energy: -45.480 tors. eta vs tors. theta energy: -42.767 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: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -528.666590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.666590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.666590 (E_RNA) where: Base-Base interactions energy: -291.102 where: short stacking energy: -136.139 Base-Backbone interact. energy: 2.085 local terms energy: -239.649443 where: bonds (distance) C4'-P energy: -50.452 bonds (distance) P-C4' energy: -68.094 flat angles C4'-P-C4' energy: -61.227 flat angles P-C4'-P energy: -36.168 tors. eta vs tors. theta energy: -23.709 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: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -292.765622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.765622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.765622 (E_RNA) where: Base-Base interactions energy: -105.732 where: short stacking energy: -96.901 Base-Backbone interact. energy: -0.803 local terms energy: -186.230425 where: bonds (distance) C4'-P energy: -47.664 bonds (distance) P-C4' energy: -56.409 flat angles C4'-P-C4' energy: -51.001 flat angles P-C4'-P energy: -35.065 tors. eta vs tors. theta energy: 3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1149.469824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.469824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.469824 (E_RNA) where: Base-Base interactions energy: -766.700 where: short stacking energy: -348.505 Base-Backbone interact. energy: -2.940 local terms energy: -379.830010 where: bonds (distance) C4'-P energy: -71.834 bonds (distance) P-C4' energy: -77.444 flat angles C4'-P-C4' energy: -76.578 flat angles P-C4'-P energy: -49.824 tors. eta vs tors. theta energy: -104.150 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: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1102.322130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.322130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.322130 (E_RNA) where: Base-Base interactions energy: -730.258 where: short stacking energy: -348.204 Base-Backbone interact. energy: -2.875 local terms energy: -369.189190 where: bonds (distance) C4'-P energy: -69.768 bonds (distance) P-C4' energy: -78.005 flat angles C4'-P-C4' energy: -76.299 flat angles P-C4'-P energy: -51.254 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: 3, replica: 1 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1007.226045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.226045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.226045 (E_RNA) where: Base-Base interactions energy: -658.188 where: short stacking energy: -290.639 Base-Backbone interact. energy: -1.876 local terms energy: -347.161101 where: bonds (distance) C4'-P energy: -68.875 bonds (distance) P-C4' energy: -65.945 flat angles C4'-P-C4' energy: -73.501 flat angles P-C4'-P energy: -60.084 tors. eta vs tors. theta energy: -78.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -974.710268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.710268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.710268 (E_RNA) where: Base-Base interactions energy: -645.949 where: short stacking energy: -303.625 Base-Backbone interact. energy: -0.919 local terms energy: -327.842280 where: bonds (distance) C4'-P energy: -66.817 bonds (distance) P-C4' energy: -62.980 flat angles C4'-P-C4' energy: -75.219 flat angles P-C4'-P energy: -43.597 tors. eta vs tors. theta energy: -79.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -856.177083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.177083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.177083 (E_RNA) where: Base-Base interactions energy: -545.381 where: short stacking energy: -264.523 Base-Backbone interact. energy: -1.693 local terms energy: -309.102711 where: bonds (distance) C4'-P energy: -48.238 bonds (distance) P-C4' energy: -66.589 flat angles C4'-P-C4' energy: -74.999 flat angles P-C4'-P energy: -51.609 tors. eta vs tors. theta energy: -67.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -772.355585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.355585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.355585 (E_RNA) where: Base-Base interactions energy: -509.991 where: short stacking energy: -231.199 Base-Backbone interact. energy: 0.307 local terms energy: -262.671615 where: bonds (distance) C4'-P energy: -66.637 bonds (distance) P-C4' energy: -63.350 flat angles C4'-P-C4' energy: -67.541 flat angles P-C4'-P energy: -24.665 tors. eta vs tors. theta energy: -40.480 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: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -749.724264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.724264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.724264 (E_RNA) where: Base-Base interactions energy: -477.503 where: short stacking energy: -224.074 Base-Backbone interact. energy: -0.481 local terms energy: -271.740097 where: bonds (distance) C4'-P energy: -48.788 bonds (distance) P-C4' energy: -72.727 flat angles C4'-P-C4' energy: -71.340 flat angles P-C4'-P energy: -26.192 tors. eta vs tors. theta energy: -52.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -617.742514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.742514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.742514 (E_RNA) where: Base-Base interactions energy: -368.947 where: short stacking energy: -179.724 Base-Backbone interact. energy: -1.654 local terms energy: -247.141082 where: bonds (distance) C4'-P energy: -51.617 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -64.378 flat angles P-C4'-P energy: -27.785 tors. eta vs tors. theta energy: -40.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -518.186631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.186631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.186631 (E_RNA) where: Base-Base interactions energy: -284.308 where: short stacking energy: -130.684 Base-Backbone interact. energy: 0.511 local terms energy: -234.389729 where: bonds (distance) C4'-P energy: -56.625 bonds (distance) P-C4' energy: -65.136 flat angles C4'-P-C4' energy: -59.295 flat angles P-C4'-P energy: -33.490 tors. eta vs tors. theta energy: -19.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -282.318175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.318175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.318175 (E_RNA) where: Base-Base interactions energy: -103.964 where: short stacking energy: -84.305 Base-Backbone interact. energy: -0.631 local terms energy: -177.723603 where: bonds (distance) C4'-P energy: -57.955 bonds (distance) P-C4' energy: -64.068 flat angles C4'-P-C4' energy: -32.558 flat angles P-C4'-P energy: -25.194 tors. eta vs tors. theta energy: 2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1118.344135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.344135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.344135 (E_RNA) where: Base-Base interactions energy: -758.499 where: short stacking energy: -361.704 Base-Backbone interact. energy: 1.583 local terms energy: -361.427440 where: bonds (distance) C4'-P energy: -57.719 bonds (distance) P-C4' energy: -70.584 flat angles C4'-P-C4' energy: -75.488 flat angles P-C4'-P energy: -54.709 tors. eta vs tors. theta energy: -102.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1092.938327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.938327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.938327 (E_RNA) where: Base-Base interactions energy: -746.775 where: short stacking energy: -331.229 Base-Backbone interact. energy: -1.722 local terms energy: -344.441382 where: bonds (distance) C4'-P energy: -62.278 bonds (distance) P-C4' energy: -74.834 flat angles C4'-P-C4' energy: -72.117 flat angles P-C4'-P energy: -42.946 tors. eta vs tors. theta energy: -92.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1031.246399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.246399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.246399 (E_RNA) where: Base-Base interactions energy: -696.512 where: short stacking energy: -323.054 Base-Backbone interact. energy: 0.871 local terms energy: -335.606125 where: bonds (distance) C4'-P energy: -61.926 bonds (distance) P-C4' energy: -65.391 flat angles C4'-P-C4' energy: -73.483 flat angles P-C4'-P energy: -44.314 tors. eta vs tors. theta energy: -90.492 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: 4, replica: 1 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1010.350108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.350108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.350108 (E_RNA) where: Base-Base interactions energy: -676.331 where: short stacking energy: -292.481 Base-Backbone interact. energy: -2.796 local terms energy: -331.223263 where: bonds (distance) C4'-P energy: -62.780 bonds (distance) P-C4' energy: -63.862 flat angles C4'-P-C4' energy: -71.924 flat angles P-C4'-P energy: -48.627 tors. eta vs tors. theta energy: -84.030 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: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -899.207711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.207711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.207711 (E_RNA) where: Base-Base interactions energy: -597.667 where: short stacking energy: -279.258 Base-Backbone interact. energy: -0.430 local terms energy: -301.110667 where: bonds (distance) C4'-P energy: -71.913 bonds (distance) P-C4' energy: -57.836 flat angles C4'-P-C4' energy: -76.780 flat angles P-C4'-P energy: -38.618 tors. eta vs tors. theta energy: -55.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -751.797750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.797750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.797750 (E_RNA) where: Base-Base interactions energy: -464.059 where: short stacking energy: -211.474 Base-Backbone interact. energy: -2.106 local terms energy: -285.633127 where: bonds (distance) C4'-P energy: -59.338 bonds (distance) P-C4' energy: -60.195 flat angles C4'-P-C4' energy: -75.609 flat angles P-C4'-P energy: -44.532 tors. eta vs tors. theta energy: -45.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -675.471567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.471567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.471567 (E_RNA) where: Base-Base interactions energy: -411.312 where: short stacking energy: -196.238 Base-Backbone interact. energy: -1.015 local terms energy: -263.144422 where: bonds (distance) C4'-P energy: -55.743 bonds (distance) P-C4' energy: -59.884 flat angles C4'-P-C4' energy: -59.213 flat angles P-C4'-P energy: -39.817 tors. eta vs tors. theta energy: -48.488 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: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -609.739532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.739532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.739532 (E_RNA) where: Base-Base interactions energy: -363.565 where: short stacking energy: -199.365 Base-Backbone interact. energy: 1.519 local terms energy: -247.693959 where: bonds (distance) C4'-P energy: -58.534 bonds (distance) P-C4' energy: -64.679 flat angles C4'-P-C4' energy: -66.308 flat angles P-C4'-P energy: -18.255 tors. eta vs tors. theta energy: -39.918 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: 6 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -500.114233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.114233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.114233 (E_RNA) where: Base-Base interactions energy: -292.059 where: short stacking energy: -162.653 Base-Backbone interact. energy: -0.998 local terms energy: -207.057510 where: bonds (distance) C4'-P energy: -55.291 bonds (distance) P-C4' energy: -47.549 flat angles C4'-P-C4' energy: -55.407 flat angles P-C4'-P energy: -24.283 tors. eta vs tors. theta energy: -24.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -305.332913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.332913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.332913 (E_RNA) where: Base-Base interactions energy: -102.560 where: short stacking energy: -91.553 Base-Backbone interact. energy: -0.675 local terms energy: -202.097716 where: bonds (distance) C4'-P energy: -50.223 bonds (distance) P-C4' energy: -66.893 flat angles C4'-P-C4' energy: -45.914 flat angles P-C4'-P energy: -37.056 tors. eta vs tors. theta energy: -2.012 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: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1127.045346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.045346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.045346 (E_RNA) where: Base-Base interactions energy: -776.440 where: short stacking energy: -354.306 Base-Backbone interact. energy: -2.269 local terms energy: -348.335543 where: bonds (distance) C4'-P energy: -61.846 bonds (distance) P-C4' energy: -54.476 flat angles C4'-P-C4' energy: -80.359 flat angles P-C4'-P energy: -46.345 tors. eta vs tors. theta energy: -105.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1121.576436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.576436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.576436 (E_RNA) where: Base-Base interactions energy: -764.835 where: short stacking energy: -350.027 Base-Backbone interact. energy: -3.099 local terms energy: -353.642535 where: bonds (distance) C4'-P energy: -67.759 bonds (distance) P-C4' energy: -65.605 flat angles C4'-P-C4' energy: -72.677 flat angles P-C4'-P energy: -44.358 tors. eta vs tors. theta energy: -103.243 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: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1000.017222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.017222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.017222 (E_RNA) where: Base-Base interactions energy: -668.698 where: short stacking energy: -306.731 Base-Backbone interact. energy: -1.365 local terms energy: -329.954141 where: bonds (distance) C4'-P energy: -64.736 bonds (distance) P-C4' energy: -67.221 flat angles C4'-P-C4' energy: -68.245 flat angles P-C4'-P energy: -42.086 tors. eta vs tors. theta energy: -87.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -962.706497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.706497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.706497 (E_RNA) where: Base-Base interactions energy: -647.014 where: short stacking energy: -284.099 Base-Backbone interact. energy: -1.588 local terms energy: -314.103844 where: bonds (distance) C4'-P energy: -63.193 bonds (distance) P-C4' energy: -71.861 flat angles C4'-P-C4' energy: -64.228 flat angles P-C4'-P energy: -39.434 tors. eta vs tors. theta energy: -75.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -857.547619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.547619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.547619 (E_RNA) where: Base-Base interactions energy: -557.554 where: short stacking energy: -267.385 Base-Backbone interact. energy: -0.833 local terms energy: -299.160410 where: bonds (distance) C4'-P energy: -56.158 bonds (distance) P-C4' energy: -72.980 flat angles C4'-P-C4' energy: -66.889 flat angles P-C4'-P energy: -40.000 tors. eta vs tors. theta energy: -63.134 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: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -792.905569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.905569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.905569 (E_RNA) where: Base-Base interactions energy: -504.396 where: short stacking energy: -254.970 Base-Backbone interact. energy: -0.514 local terms energy: -287.995688 where: bonds (distance) C4'-P energy: -56.654 bonds (distance) P-C4' energy: -60.034 flat angles C4'-P-C4' energy: -67.553 flat angles P-C4'-P energy: -45.637 tors. eta vs tors. theta energy: -58.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -701.981350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.981350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.981350 (E_RNA) where: Base-Base interactions energy: -462.735 where: short stacking energy: -215.426 Base-Backbone interact. energy: 0.369 local terms energy: -239.615701 where: bonds (distance) C4'-P energy: -50.213 bonds (distance) P-C4' energy: -52.025 flat angles C4'-P-C4' energy: -63.406 flat angles P-C4'-P energy: -27.112 tors. eta vs tors. theta energy: -46.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -593.894443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.894443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.894443 (E_RNA) where: Base-Base interactions energy: -350.981 where: short stacking energy: -193.750 Base-Backbone interact. energy: -0.072 local terms energy: -242.840956 where: bonds (distance) C4'-P energy: -60.984 bonds (distance) P-C4' energy: -64.507 flat angles C4'-P-C4' energy: -56.946 flat angles P-C4'-P energy: -26.558 tors. eta vs tors. theta energy: -33.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -513.543980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.543980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.543980 (E_RNA) where: Base-Base interactions energy: -283.168 where: short stacking energy: -146.946 Base-Backbone interact. energy: 3.406 local terms energy: -233.781219 where: bonds (distance) C4'-P energy: -59.930 bonds (distance) P-C4' energy: -61.449 flat angles C4'-P-C4' energy: -53.751 flat angles P-C4'-P energy: -32.803 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: 10, replica: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -325.822784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.822784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.822784 (E_RNA) where: Base-Base interactions energy: -146.349 where: short stacking energy: -93.738 Base-Backbone interact. energy: 0.377 local terms energy: -179.850820 where: bonds (distance) C4'-P energy: -50.534 bonds (distance) P-C4' energy: -56.433 flat angles C4'-P-C4' energy: -53.664 flat angles P-C4'-P energy: -23.218 tors. eta vs tors. theta energy: 3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1166.569375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.569375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.569375 (E_RNA) where: Base-Base interactions energy: -772.015 where: short stacking energy: -377.601 Base-Backbone interact. energy: -0.821 local terms energy: -393.733633 where: bonds (distance) C4'-P energy: -76.494 bonds (distance) P-C4' energy: -66.036 flat angles C4'-P-C4' energy: -82.204 flat angles P-C4'-P energy: -54.038 tors. eta vs tors. theta energy: -114.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1108.790639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.790639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.790639 (E_RNA) where: Base-Base interactions energy: -730.691 where: short stacking energy: -326.580 Base-Backbone interact. energy: -2.352 local terms energy: -375.747455 where: bonds (distance) C4'-P energy: -72.933 bonds (distance) P-C4' energy: -71.030 flat angles C4'-P-C4' energy: -76.736 flat angles P-C4'-P energy: -54.647 tors. eta vs tors. theta energy: -100.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1002.886621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.886621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.886621 (E_RNA) where: Base-Base interactions energy: -667.671 where: short stacking energy: -318.802 Base-Backbone interact. energy: 0.011 local terms energy: -335.226426 where: bonds (distance) C4'-P energy: -62.952 bonds (distance) P-C4' energy: -60.690 flat angles C4'-P-C4' energy: -74.605 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -86.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -956.083294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.083294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.083294 (E_RNA) where: Base-Base interactions energy: -639.969 where: short stacking energy: -269.051 Base-Backbone interact. energy: -1.265 local terms energy: -314.849506 where: bonds (distance) C4'-P energy: -58.343 bonds (distance) P-C4' energy: -64.252 flat angles C4'-P-C4' energy: -69.656 flat angles P-C4'-P energy: -45.841 tors. eta vs tors. theta energy: -76.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -866.934501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.934501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.934501 (E_RNA) where: Base-Base interactions energy: -574.684 where: short stacking energy: -255.539 Base-Backbone interact. energy: -1.058 local terms energy: -291.192952 where: bonds (distance) C4'-P energy: -48.389 bonds (distance) P-C4' energy: -69.032 flat angles C4'-P-C4' energy: -60.504 flat angles P-C4'-P energy: -45.070 tors. eta vs tors. theta energy: -68.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -796.737704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.737704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.737704 (E_RNA) where: Base-Base interactions energy: -513.929 where: short stacking energy: -224.551 Base-Backbone interact. energy: -0.179 local terms energy: -282.629608 where: bonds (distance) C4'-P energy: -53.230 bonds (distance) P-C4' energy: -59.812 flat angles C4'-P-C4' energy: -68.628 flat angles P-C4'-P energy: -43.229 tors. eta vs tors. theta energy: -57.730 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: 222 Temperature: 1.200000 Total energy: -689.312309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.312309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.312309 (E_RNA) where: Base-Base interactions energy: -417.571 where: short stacking energy: -207.969 Base-Backbone interact. energy: -1.610 local terms energy: -270.131591 where: bonds (distance) C4'-P energy: -58.910 bonds (distance) P-C4' energy: -70.061 flat angles C4'-P-C4' energy: -57.111 flat angles P-C4'-P energy: -37.307 tors. eta vs tors. theta energy: -46.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -602.141582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.141582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.141582 (E_RNA) where: Base-Base interactions energy: -368.597 where: short stacking energy: -198.978 Base-Backbone interact. energy: -0.594 local terms energy: -232.950183 where: bonds (distance) C4'-P energy: -55.472 bonds (distance) P-C4' energy: -43.085 flat angles C4'-P-C4' energy: -68.438 flat angles P-C4'-P energy: -23.936 tors. eta vs tors. theta energy: -42.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -530.091722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.091722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.091722 (E_RNA) where: Base-Base interactions energy: -292.217 where: short stacking energy: -153.586 Base-Backbone interact. energy: -0.150 local terms energy: -237.724503 where: bonds (distance) C4'-P energy: -56.739 bonds (distance) P-C4' energy: -69.474 flat angles C4'-P-C4' energy: -50.498 flat angles P-C4'-P energy: -30.645 tors. eta vs tors. theta energy: -30.368 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: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -318.863555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.863555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.863555 (E_RNA) where: Base-Base interactions energy: -130.027 where: short stacking energy: -92.885 Base-Backbone interact. energy: -1.980 local terms energy: -186.856629 where: bonds (distance) C4'-P energy: -44.319 bonds (distance) P-C4' energy: -58.986 flat angles C4'-P-C4' energy: -62.871 flat angles P-C4'-P energy: -31.115 tors. eta vs tors. theta energy: 10.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1169.691150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.691150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.691150 (E_RNA) where: Base-Base interactions energy: -781.261 where: short stacking energy: -366.898 Base-Backbone interact. energy: -1.135 local terms energy: -387.294998 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -70.670 flat angles C4'-P-C4' energy: -84.939 flat angles P-C4'-P energy: -54.955 tors. eta vs tors. theta energy: -111.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1090.832763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.832763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.832763 (E_RNA) where: Base-Base interactions energy: -727.676 where: short stacking energy: -333.491 Base-Backbone interact. energy: -2.111 local terms energy: -361.045374 where: bonds (distance) C4'-P energy: -65.552 bonds (distance) P-C4' energy: -73.044 flat angles C4'-P-C4' energy: -74.794 flat angles P-C4'-P energy: -51.895 tors. eta vs tors. theta energy: -95.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1012.840966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.840966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.840966 (E_RNA) where: Base-Base interactions energy: -680.876 where: short stacking energy: -324.731 Base-Backbone interact. energy: -1.258 local terms energy: -330.706652 where: bonds (distance) C4'-P energy: -56.070 bonds (distance) P-C4' energy: -56.406 flat angles C4'-P-C4' energy: -72.577 flat angles P-C4'-P energy: -53.127 tors. eta vs tors. theta energy: -92.526 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: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -935.361442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.361442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.361442 (E_RNA) where: Base-Base interactions energy: -627.466 where: short stacking energy: -258.761 Base-Backbone interact. energy: -0.488 local terms energy: -307.407300 where: bonds (distance) C4'-P energy: -62.052 bonds (distance) P-C4' energy: -64.803 flat angles C4'-P-C4' energy: -69.252 flat angles P-C4'-P energy: -45.859 tors. eta vs tors. theta energy: -65.441 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: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -881.611554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.611554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.611554 (E_RNA) where: Base-Base interactions energy: -578.898 where: short stacking energy: -273.829 Base-Backbone interact. energy: 1.314 local terms energy: -304.027547 where: bonds (distance) C4'-P energy: -70.146 bonds (distance) P-C4' energy: -49.286 flat angles C4'-P-C4' energy: -60.410 flat angles P-C4'-P energy: -45.470 tors. eta vs tors. theta energy: -78.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -719.579616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.579616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.579616 (E_RNA) where: Base-Base interactions energy: -479.811 where: short stacking energy: -199.565 Base-Backbone interact. energy: -1.849 local terms energy: -237.919921 where: bonds (distance) C4'-P energy: -62.951 bonds (distance) P-C4' energy: -59.058 flat angles C4'-P-C4' energy: -46.921 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: -26.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -802.172690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.172690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.172690 (E_RNA) where: Base-Base interactions energy: -521.800 where: short stacking energy: -235.257 Base-Backbone interact. energy: -2.904 local terms energy: -277.468993 where: bonds (distance) C4'-P energy: -54.339 bonds (distance) P-C4' energy: -53.847 flat angles C4'-P-C4' energy: -64.215 flat angles P-C4'-P energy: -42.564 tors. eta vs tors. theta energy: -62.504 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: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -618.939980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.939980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.939980 (E_RNA) where: Base-Base interactions energy: -364.833 where: short stacking energy: -194.836 Base-Backbone interact. energy: -1.009 local terms energy: -253.098319 where: bonds (distance) C4'-P energy: -53.180 bonds (distance) P-C4' energy: -61.581 flat angles C4'-P-C4' energy: -62.281 flat angles P-C4'-P energy: -27.260 tors. eta vs tors. theta energy: -48.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -536.686764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.686764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.686764 (E_RNA) where: Base-Base interactions energy: -285.135 where: short stacking energy: -157.874 Base-Backbone interact. energy: -0.756 local terms energy: -250.794976 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -70.159 flat angles C4'-P-C4' energy: -55.870 flat angles P-C4'-P energy: -28.349 tors. eta vs tors. theta energy: -31.306 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: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -307.139578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.139578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.139578 (E_RNA) where: Base-Base interactions energy: -121.402 where: short stacking energy: -80.583 Base-Backbone interact. energy: 0.695 local terms energy: -186.432588 where: bonds (distance) C4'-P energy: -57.791 bonds (distance) P-C4' energy: -54.390 flat angles C4'-P-C4' energy: -63.020 flat angles P-C4'-P energy: -22.253 tors. eta vs tors. theta energy: 11.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1175.380257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.380257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.380257 (E_RNA) where: Base-Base interactions energy: -790.923 where: short stacking energy: -369.710 Base-Backbone interact. energy: -0.734 local terms energy: -383.723328 where: bonds (distance) C4'-P energy: -65.760 bonds (distance) P-C4' energy: -66.157 flat angles C4'-P-C4' energy: -83.121 flat angles P-C4'-P energy: -57.066 tors. eta vs tors. theta energy: -111.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1071.705329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.705329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.705329 (E_RNA) where: Base-Base interactions energy: -715.372 where: short stacking energy: -330.823 Base-Backbone interact. energy: -0.682 local terms energy: -355.651295 where: bonds (distance) C4'-P energy: -55.964 bonds (distance) P-C4' energy: -69.950 flat angles C4'-P-C4' energy: -80.811 flat angles P-C4'-P energy: -51.727 tors. eta vs tors. theta energy: -97.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1011.058222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.058222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.058222 (E_RNA) where: Base-Base interactions energy: -675.649 where: short stacking energy: -321.650 Base-Backbone interact. energy: -0.092 local terms energy: -335.316629 where: bonds (distance) C4'-P energy: -54.388 bonds (distance) P-C4' energy: -70.690 flat angles C4'-P-C4' energy: -77.211 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -86.602 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: 224 Temperature: 1.050000 Total energy: -924.857115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.857115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.857115 (E_RNA) where: Base-Base interactions energy: -614.768 where: short stacking energy: -271.637 Base-Backbone interact. energy: -1.930 local terms energy: -308.158767 where: bonds (distance) C4'-P energy: -70.043 bonds (distance) P-C4' energy: -58.389 flat angles C4'-P-C4' energy: -60.235 flat angles P-C4'-P energy: -43.560 tors. eta vs tors. theta energy: -75.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -863.357683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.357683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.357683 (E_RNA) where: Base-Base interactions energy: -569.897 where: short stacking energy: -255.461 Base-Backbone interact. energy: -0.321 local terms energy: -293.140285 where: bonds (distance) C4'-P energy: -71.025 bonds (distance) P-C4' energy: -56.197 flat angles C4'-P-C4' energy: -60.333 flat angles P-C4'-P energy: -44.435 tors. eta vs tors. theta energy: -61.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -732.584271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.584271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.584271 (E_RNA) where: Base-Base interactions energy: -461.610 where: short stacking energy: -201.054 Base-Backbone interact. energy: -1.090 local terms energy: -269.884126 where: bonds (distance) C4'-P energy: -51.022 bonds (distance) P-C4' energy: -58.870 flat angles C4'-P-C4' energy: -60.536 flat angles P-C4'-P energy: -53.542 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: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -819.953841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.953841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.953841 (E_RNA) where: Base-Base interactions energy: -544.268 where: short stacking energy: -258.054 Base-Backbone interact. energy: -1.006 local terms energy: -274.679397 where: bonds (distance) C4'-P energy: -51.837 bonds (distance) P-C4' energy: -64.025 flat angles C4'-P-C4' energy: -65.394 flat angles P-C4'-P energy: -35.246 tors. eta vs tors. theta energy: -58.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -552.172705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.172705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.172705 (E_RNA) where: Base-Base interactions energy: -303.910 where: short stacking energy: -162.496 Base-Backbone interact. energy: -0.422 local terms energy: -247.840809 where: bonds (distance) C4'-P energy: -70.569 bonds (distance) P-C4' energy: -61.057 flat angles C4'-P-C4' energy: -60.698 flat angles P-C4'-P energy: -38.335 tors. eta vs tors. theta energy: -17.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -523.146998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.146998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.146998 (E_RNA) where: Base-Base interactions energy: -299.287 where: short stacking energy: -153.570 Base-Backbone interact. energy: -0.050 local terms energy: -223.810355 where: bonds (distance) C4'-P energy: -53.552 bonds (distance) P-C4' energy: -45.374 flat angles C4'-P-C4' energy: -66.051 flat angles P-C4'-P energy: -31.852 tors. eta vs tors. theta energy: -26.981 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: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -314.149666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.149666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.149666 (E_RNA) where: Base-Base interactions energy: -121.054 where: short stacking energy: -85.813 Base-Backbone interact. energy: 5.314 local terms energy: -198.410102 where: bonds (distance) C4'-P energy: -61.695 bonds (distance) P-C4' energy: -53.061 flat angles C4'-P-C4' energy: -50.100 flat angles P-C4'-P energy: -27.640 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: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1189.587566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.587566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.587566 (E_RNA) where: Base-Base interactions energy: -805.354 where: short stacking energy: -378.291 Base-Backbone interact. energy: -1.531 local terms energy: -382.702905 where: bonds (distance) C4'-P energy: -67.549 bonds (distance) P-C4' energy: -76.369 flat angles C4'-P-C4' energy: -78.179 flat angles P-C4'-P energy: -48.860 tors. eta vs tors. theta energy: -111.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1076.408024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.408024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.408024 (E_RNA) where: Base-Base interactions energy: -712.521 where: short stacking energy: -335.328 Base-Backbone interact. energy: -0.324 local terms energy: -363.563870 where: bonds (distance) C4'-P energy: -68.669 bonds (distance) P-C4' energy: -66.680 flat angles C4'-P-C4' energy: -77.876 flat angles P-C4'-P energy: -54.753 tors. eta vs tors. theta energy: -95.586 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: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1020.574502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.574502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.574502 (E_RNA) where: Base-Base interactions energy: -688.593 where: short stacking energy: -329.600 Base-Backbone interact. energy: 0.517 local terms energy: -332.498707 where: bonds (distance) C4'-P energy: -60.970 bonds (distance) P-C4' energy: -67.373 flat angles C4'-P-C4' energy: -74.332 flat angles P-C4'-P energy: -46.248 tors. eta vs tors. theta energy: -83.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -886.505332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.505332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.505332 (E_RNA) where: Base-Base interactions energy: -567.183 where: short stacking energy: -261.748 Base-Backbone interact. energy: -2.025 local terms energy: -317.297749 where: bonds (distance) C4'-P energy: -65.503 bonds (distance) P-C4' energy: -67.139 flat angles C4'-P-C4' energy: -75.394 flat angles P-C4'-P energy: -46.418 tors. eta vs tors. theta energy: -62.843 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: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -904.813999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.813999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.813999 (E_RNA) where: Base-Base interactions energy: -591.659 where: short stacking energy: -265.178 Base-Backbone interact. energy: -3.488 local terms energy: -309.666604 where: bonds (distance) C4'-P energy: -58.695 bonds (distance) P-C4' energy: -67.167 flat angles C4'-P-C4' energy: -78.061 flat angles P-C4'-P energy: -41.797 tors. eta vs tors. theta energy: -63.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -814.570660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.570660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.570660 (E_RNA) where: Base-Base interactions energy: -529.649 where: short stacking energy: -235.004 Base-Backbone interact. energy: 6.946 local terms energy: -291.868164 where: bonds (distance) C4'-P energy: -62.736 bonds (distance) P-C4' energy: -64.609 flat angles C4'-P-C4' energy: -65.661 flat angles P-C4'-P energy: -47.793 tors. eta vs tors. theta energy: -51.068 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: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -743.834355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.834355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.834355 (E_RNA) where: Base-Base interactions energy: -483.230 where: short stacking energy: -235.713 Base-Backbone interact. energy: -0.968 local terms energy: -259.636524 where: bonds (distance) C4'-P energy: -47.191 bonds (distance) P-C4' energy: -53.291 flat angles C4'-P-C4' energy: -62.560 flat angles P-C4'-P energy: -39.043 tors. eta vs tors. theta energy: -57.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -576.289953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.289953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.289953 (E_RNA) where: Base-Base interactions energy: -332.240 where: short stacking energy: -184.146 Base-Backbone interact. energy: 4.787 local terms energy: -248.836086 where: bonds (distance) C4'-P energy: -56.116 bonds (distance) P-C4' energy: -71.936 flat angles C4'-P-C4' energy: -52.165 flat angles P-C4'-P energy: -39.762 tors. eta vs tors. theta energy: -28.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -516.840474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.840474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.840474 (E_RNA) where: Base-Base interactions energy: -290.788 where: short stacking energy: -159.295 Base-Backbone interact. energy: 2.059 local terms energy: -228.110996 where: bonds (distance) C4'-P energy: -60.906 bonds (distance) P-C4' energy: -62.460 flat angles C4'-P-C4' energy: -51.304 flat angles P-C4'-P energy: -28.461 tors. eta vs tors. theta energy: -24.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -288.261122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.261122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.261122 (E_RNA) where: Base-Base interactions energy: -86.539 where: short stacking energy: -78.580 Base-Backbone interact. energy: -0.245 local terms energy: -201.476601 where: bonds (distance) C4'-P energy: -55.006 bonds (distance) P-C4' energy: -55.409 flat angles C4'-P-C4' energy: -55.296 flat angles P-C4'-P energy: -42.098 tors. eta vs tors. theta energy: 6.333 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: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1168.324628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.324628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.324628 (E_RNA) where: Base-Base interactions energy: -788.993 where: short stacking energy: -363.034 Base-Backbone interact. energy: 1.722 local terms energy: -381.053495 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -72.835 flat angles C4'-P-C4' energy: -76.581 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: -111.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1090.589530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.589530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.589530 (E_RNA) where: Base-Base interactions energy: -721.595 where: short stacking energy: -351.217 Base-Backbone interact. energy: -1.114 local terms energy: -367.880764 where: bonds (distance) C4'-P energy: -64.015 bonds (distance) P-C4' energy: -69.977 flat angles C4'-P-C4' energy: -82.607 flat angles P-C4'-P energy: -53.423 tors. eta vs tors. theta energy: -97.859 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: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1005.023352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.023352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.023352 (E_RNA) where: Base-Base interactions energy: -666.716 where: short stacking energy: -322.763 Base-Backbone interact. energy: -1.352 local terms energy: -336.955502 where: bonds (distance) C4'-P energy: -63.030 bonds (distance) P-C4' energy: -66.770 flat angles C4'-P-C4' energy: -68.351 flat angles P-C4'-P energy: -50.135 tors. eta vs tors. theta energy: -88.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -924.143383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.143383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.143383 (E_RNA) where: Base-Base interactions energy: -614.765 where: short stacking energy: -277.183 Base-Backbone interact. energy: 0.563 local terms energy: -309.941425 where: bonds (distance) C4'-P energy: -56.643 bonds (distance) P-C4' energy: -67.062 flat angles C4'-P-C4' energy: -70.912 flat angles P-C4'-P energy: -41.559 tors. eta vs tors. theta energy: -73.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -904.238793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.238793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.238793 (E_RNA) where: Base-Base interactions energy: -615.425 where: short stacking energy: -266.568 Base-Backbone interact. energy: -2.260 local terms energy: -286.553749 where: bonds (distance) C4'-P energy: -62.872 bonds (distance) P-C4' energy: -54.515 flat angles C4'-P-C4' energy: -68.534 flat angles P-C4'-P energy: -35.640 tors. eta vs tors. theta energy: -64.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -804.724276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.724276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.724276 (E_RNA) where: Base-Base interactions energy: -545.207 where: short stacking energy: -237.102 Base-Backbone interact. energy: 0.609 local terms energy: -260.126379 where: bonds (distance) C4'-P energy: -46.195 bonds (distance) P-C4' energy: -49.704 flat angles C4'-P-C4' energy: -63.881 flat angles P-C4'-P energy: -45.410 tors. eta vs tors. theta energy: -54.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -731.036397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.036397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.036397 (E_RNA) where: Base-Base interactions energy: -470.698 where: short stacking energy: -214.353 Base-Backbone interact. energy: 7.175 local terms energy: -267.512790 where: bonds (distance) C4'-P energy: -55.488 bonds (distance) P-C4' energy: -58.943 flat angles C4'-P-C4' energy: -65.544 flat angles P-C4'-P energy: -43.028 tors. eta vs tors. theta energy: -44.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -606.232288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.232288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.232288 (E_RNA) where: Base-Base interactions energy: -359.289 where: short stacking energy: -181.785 Base-Backbone interact. energy: 1.309 local terms energy: -248.252045 where: bonds (distance) C4'-P energy: -45.268 bonds (distance) P-C4' energy: -67.899 flat angles C4'-P-C4' energy: -65.410 flat angles P-C4'-P energy: -36.150 tors. eta vs tors. theta energy: -33.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -565.742363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.742363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.742363 (E_RNA) where: Base-Base interactions energy: -310.276 where: short stacking energy: -154.915 Base-Backbone interact. energy: -0.645 local terms energy: -254.821613 where: bonds (distance) C4'-P energy: -62.743 bonds (distance) P-C4' energy: -48.801 flat angles C4'-P-C4' energy: -59.396 flat angles P-C4'-P energy: -40.480 tors. eta vs tors. theta energy: -43.402 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: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -294.327716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.327716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.327716 (E_RNA) where: Base-Base interactions energy: -86.995 where: short stacking energy: -86.723 Base-Backbone interact. energy: 2.031 local terms energy: -209.363268 where: bonds (distance) C4'-P energy: -64.475 bonds (distance) P-C4' energy: -56.208 flat angles C4'-P-C4' energy: -54.514 flat angles P-C4'-P energy: -35.196 tors. eta vs tors. theta energy: 1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1190.062980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.062980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.062980 (E_RNA) where: Base-Base interactions energy: -800.165 where: short stacking energy: -389.779 Base-Backbone interact. energy: -0.605 local terms energy: -389.293316 where: bonds (distance) C4'-P energy: -68.783 bonds (distance) P-C4' energy: -66.884 flat angles C4'-P-C4' energy: -83.736 flat angles P-C4'-P energy: -56.426 tors. eta vs tors. theta energy: -113.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1097.125403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.125403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.125403 (E_RNA) where: Base-Base interactions energy: -746.993 where: short stacking energy: -348.782 Base-Backbone interact. energy: 1.160 local terms energy: -351.292559 where: bonds (distance) C4'-P energy: -71.182 bonds (distance) P-C4' energy: -58.136 flat angles C4'-P-C4' energy: -74.917 flat angles P-C4'-P energy: -44.906 tors. eta vs tors. theta energy: -102.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -984.375352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.375352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.375352 (E_RNA) where: Base-Base interactions energy: -647.264 where: short stacking energy: -308.105 Base-Backbone interact. energy: 1.639 local terms energy: -338.750723 where: bonds (distance) C4'-P energy: -71.119 bonds (distance) P-C4' energy: -71.432 flat angles C4'-P-C4' energy: -72.523 flat angles P-C4'-P energy: -45.616 tors. eta vs tors. theta energy: -78.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -939.471247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.471247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.471247 (E_RNA) where: Base-Base interactions energy: -615.670 where: short stacking energy: -280.421 Base-Backbone interact. energy: 1.079 local terms energy: -324.880647 where: bonds (distance) C4'-P energy: -62.445 bonds (distance) P-C4' energy: -73.637 flat angles C4'-P-C4' energy: -77.531 flat angles P-C4'-P energy: -37.151 tors. eta vs tors. theta energy: -74.117 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: 5, replica: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -918.664927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.664927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.664927 (E_RNA) where: Base-Base interactions energy: -620.283 where: short stacking energy: -262.560 Base-Backbone interact. energy: -1.548 local terms energy: -296.834104 where: bonds (distance) C4'-P energy: -52.675 bonds (distance) P-C4' energy: -63.334 flat angles C4'-P-C4' energy: -71.127 flat angles P-C4'-P energy: -39.480 tors. eta vs tors. theta energy: -70.218 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: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -822.715378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.715378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.715378 (E_RNA) where: Base-Base interactions energy: -541.612 where: short stacking energy: -228.762 Base-Backbone interact. energy: -0.024 local terms energy: -281.078643 where: bonds (distance) C4'-P energy: -66.456 bonds (distance) P-C4' energy: -68.758 flat angles C4'-P-C4' energy: -61.523 flat angles P-C4'-P energy: -39.528 tors. eta vs tors. theta energy: -44.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -712.715523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.715523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.715523 (E_RNA) where: Base-Base interactions energy: -420.177 where: short stacking energy: -213.125 Base-Backbone interact. energy: -1.372 local terms energy: -291.167036 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -63.363 flat angles C4'-P-C4' energy: -60.239 flat angles P-C4'-P energy: -42.388 tors. eta vs tors. theta energy: -51.953 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: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -584.424888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.424888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.424888 (E_RNA) where: Base-Base interactions energy: -345.955 where: short stacking energy: -170.871 Base-Backbone interact. energy: -0.305 local terms energy: -238.164620 where: bonds (distance) C4'-P energy: -59.545 bonds (distance) P-C4' energy: -50.642 flat angles C4'-P-C4' energy: -68.501 flat angles P-C4'-P energy: -34.148 tors. eta vs tors. theta energy: -25.328 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: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -498.589917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.589917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.589917 (E_RNA) where: Base-Base interactions energy: -262.024 where: short stacking energy: -130.335 Base-Backbone interact. energy: -0.845 local terms energy: -235.721127 where: bonds (distance) C4'-P energy: -62.405 bonds (distance) P-C4' energy: -61.725 flat angles C4'-P-C4' energy: -61.878 flat angles P-C4'-P energy: -31.091 tors. eta vs tors. theta energy: -18.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -279.360623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.360623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.360623 (E_RNA) where: Base-Base interactions energy: -108.529 where: short stacking energy: -87.075 Base-Backbone interact. energy: -1.433 local terms energy: -169.398411 where: bonds (distance) C4'-P energy: -56.059 bonds (distance) P-C4' energy: -66.107 flat angles C4'-P-C4' energy: -39.420 flat angles P-C4'-P energy: -15.764 tors. eta vs tors. theta energy: 7.952 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: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1174.133623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.133623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.133623 (E_RNA) where: Base-Base interactions energy: -801.053 where: short stacking energy: -389.491 Base-Backbone interact. energy: -0.942 local terms energy: -372.139396 where: bonds (distance) C4'-P energy: -62.080 bonds (distance) P-C4' energy: -63.289 flat angles C4'-P-C4' energy: -83.116 flat angles P-C4'-P energy: -50.205 tors. eta vs tors. theta energy: -113.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1104.487655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.487655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.487655 (E_RNA) where: Base-Base interactions energy: -741.190 where: short stacking energy: -347.460 Base-Backbone interact. energy: 1.804 local terms energy: -365.101992 where: bonds (distance) C4'-P energy: -54.665 bonds (distance) P-C4' energy: -75.791 flat angles C4'-P-C4' energy: -83.120 flat angles P-C4'-P energy: -55.688 tors. eta vs tors. theta energy: -95.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -990.528868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.528868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.528868 (E_RNA) where: Base-Base interactions energy: -653.288 where: short stacking energy: -292.073 Base-Backbone interact. energy: -3.071 local terms energy: -334.169337 where: bonds (distance) C4'-P energy: -59.229 bonds (distance) P-C4' energy: -73.144 flat angles C4'-P-C4' energy: -74.407 flat angles P-C4'-P energy: -58.308 tors. eta vs tors. theta energy: -69.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -914.515948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.515948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.515948 (E_RNA) where: Base-Base interactions energy: -584.773 where: short stacking energy: -258.894 Base-Backbone interact. energy: -1.076 local terms energy: -328.666614 where: bonds (distance) C4'-P energy: -67.930 bonds (distance) P-C4' energy: -77.901 flat angles C4'-P-C4' energy: -59.870 flat angles P-C4'-P energy: -50.533 tors. eta vs tors. theta energy: -72.433 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: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -909.614484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.614484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.614484 (E_RNA) where: Base-Base interactions energy: -597.732 where: short stacking energy: -260.926 Base-Backbone interact. energy: -2.810 local terms energy: -309.072192 where: bonds (distance) C4'-P energy: -65.437 bonds (distance) P-C4' energy: -68.530 flat angles C4'-P-C4' energy: -69.638 flat angles P-C4'-P energy: -38.177 tors. eta vs tors. theta energy: -67.290 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: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -833.525127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.525127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.525127 (E_RNA) where: Base-Base interactions energy: -533.293 where: short stacking energy: -238.801 Base-Backbone interact. energy: 0.995 local terms energy: -301.226965 where: bonds (distance) C4'-P energy: -54.935 bonds (distance) P-C4' energy: -59.504 flat angles C4'-P-C4' energy: -72.204 flat angles P-C4'-P energy: -49.641 tors. eta vs tors. theta energy: -64.943 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: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -727.140640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.140640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.140640 (E_RNA) where: Base-Base interactions energy: -453.118 where: short stacking energy: -198.942 Base-Backbone interact. energy: -0.959 local terms energy: -273.063153 where: bonds (distance) C4'-P energy: -63.268 bonds (distance) P-C4' energy: -52.420 flat angles C4'-P-C4' energy: -67.445 flat angles P-C4'-P energy: -39.631 tors. eta vs tors. theta energy: -50.298 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: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -601.391133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.391133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.391133 (E_RNA) where: Base-Base interactions energy: -341.040 where: short stacking energy: -153.660 Base-Backbone interact. energy: -2.468 local terms energy: -257.883778 where: bonds (distance) C4'-P energy: -70.435 bonds (distance) P-C4' energy: -69.966 flat angles C4'-P-C4' energy: -58.178 flat angles P-C4'-P energy: -28.790 tors. eta vs tors. theta energy: -30.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -481.704192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.704192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.704192 (E_RNA) where: Base-Base interactions energy: -261.292 where: short stacking energy: -157.798 Base-Backbone interact. energy: -1.035 local terms energy: -219.377071 where: bonds (distance) C4'-P energy: -60.874 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -50.683 flat angles P-C4'-P energy: -26.637 tors. eta vs tors. theta energy: -15.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -340.763034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.763034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.763034 (E_RNA) where: Base-Base interactions energy: -179.157 where: short stacking energy: -126.342 Base-Backbone interact. energy: 1.778 local terms energy: -163.384113 where: bonds (distance) C4'-P energy: -48.892 bonds (distance) P-C4' energy: -42.544 flat angles C4'-P-C4' energy: -43.875 flat angles P-C4'-P energy: -36.790 tors. eta vs tors. theta energy: 8.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1176.257772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.257772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.257772 (E_RNA) where: Base-Base interactions energy: -803.244 where: short stacking energy: -389.151 Base-Backbone interact. energy: -0.219 local terms energy: -372.795095 where: bonds (distance) C4'-P energy: -59.505 bonds (distance) P-C4' energy: -73.723 flat angles C4'-P-C4' energy: -73.808 flat angles P-C4'-P energy: -48.696 tors. eta vs tors. theta energy: -117.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1090.831948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.831948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.831948 (E_RNA) where: Base-Base interactions energy: -734.270 where: short stacking energy: -339.505 Base-Backbone interact. energy: -3.888 local terms energy: -352.673204 where: bonds (distance) C4'-P energy: -62.339 bonds (distance) P-C4' energy: -67.299 flat angles C4'-P-C4' energy: -79.824 flat angles P-C4'-P energy: -50.448 tors. eta vs tors. theta energy: -92.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1001.148737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.148737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.148737 (E_RNA) where: Base-Base interactions energy: -670.639 where: short stacking energy: -308.348 Base-Backbone interact. energy: 0.310 local terms energy: -330.819876 where: bonds (distance) C4'-P energy: -61.829 bonds (distance) P-C4' energy: -64.585 flat angles C4'-P-C4' energy: -68.308 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -88.425 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: 4, replica: 5 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -888.215830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.215830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.215830 (E_RNA) where: Base-Base interactions energy: -580.793 where: short stacking energy: -249.901 Base-Backbone interact. energy: 2.841 local terms energy: -310.264346 where: bonds (distance) C4'-P energy: -56.477 bonds (distance) P-C4' energy: -75.977 flat angles C4'-P-C4' energy: -64.077 flat angles P-C4'-P energy: -46.681 tors. eta vs tors. theta energy: -67.053 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: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -915.994293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.994293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.994293 (E_RNA) where: Base-Base interactions energy: -623.731 where: short stacking energy: -256.109 Base-Backbone interact. energy: -2.359 local terms energy: -289.903398 where: bonds (distance) C4'-P energy: -56.521 bonds (distance) P-C4' energy: -61.970 flat angles C4'-P-C4' energy: -62.855 flat angles P-C4'-P energy: -53.245 tors. eta vs tors. theta energy: -55.312 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: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -821.414769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.414769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.414769 (E_RNA) where: Base-Base interactions energy: -536.286 where: short stacking energy: -220.628 Base-Backbone interact. energy: -0.322 local terms energy: -284.807486 where: bonds (distance) C4'-P energy: -67.720 bonds (distance) P-C4' energy: -66.319 flat angles C4'-P-C4' energy: -57.952 flat angles P-C4'-P energy: -32.940 tors. eta vs tors. theta energy: -59.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -742.064345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.064345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.064345 (E_RNA) where: Base-Base interactions energy: -476.734 where: short stacking energy: -220.863 Base-Backbone interact. energy: -0.858 local terms energy: -264.472688 where: bonds (distance) C4'-P energy: -55.170 bonds (distance) P-C4' energy: -62.001 flat angles C4'-P-C4' energy: -61.255 flat angles P-C4'-P energy: -34.750 tors. eta vs tors. theta energy: -51.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -584.260715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.260715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.260715 (E_RNA) where: Base-Base interactions energy: -349.463 where: short stacking energy: -164.832 Base-Backbone interact. energy: -1.625 local terms energy: -233.172388 where: bonds (distance) C4'-P energy: -57.717 bonds (distance) P-C4' energy: -48.137 flat angles C4'-P-C4' energy: -65.393 flat angles P-C4'-P energy: -35.335 tors. eta vs tors. theta energy: -26.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -446.683486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.683486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.683486 (E_RNA) where: Base-Base interactions energy: -218.500 where: short stacking energy: -124.838 Base-Backbone interact. energy: 0.551 local terms energy: -228.734188 where: bonds (distance) C4'-P energy: -58.547 bonds (distance) P-C4' energy: -67.449 flat angles C4'-P-C4' energy: -42.572 flat angles P-C4'-P energy: -34.329 tors. eta vs tors. theta energy: -25.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -330.849587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.849587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.849587 (E_RNA) where: Base-Base interactions energy: -151.519 where: short stacking energy: -108.002 Base-Backbone interact. energy: -0.219 local terms energy: -179.111154 where: bonds (distance) C4'-P energy: -59.445 bonds (distance) P-C4' energy: -50.275 flat angles C4'-P-C4' energy: -43.995 flat angles P-C4'-P energy: -24.879 tors. eta vs tors. theta energy: -0.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1189.918819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.918819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.918819 (E_RNA) where: Base-Base interactions energy: -799.856 where: short stacking energy: -380.292 Base-Backbone interact. energy: -0.737 local terms energy: -389.326508 where: bonds (distance) C4'-P energy: -68.012 bonds (distance) P-C4' energy: -75.534 flat angles C4'-P-C4' energy: -79.120 flat angles P-C4'-P energy: -57.230 tors. eta vs tors. theta energy: -109.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1103.399850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.399850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.399850 (E_RNA) where: Base-Base interactions energy: -738.046 where: short stacking energy: -326.504 Base-Backbone interact. energy: -1.783 local terms energy: -363.571191 where: bonds (distance) C4'-P energy: -62.980 bonds (distance) P-C4' energy: -70.520 flat angles C4'-P-C4' energy: -75.989 flat angles P-C4'-P energy: -51.696 tors. eta vs tors. theta energy: -102.387 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: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -973.313314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.313314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.313314 (E_RNA) where: Base-Base interactions energy: -628.881 where: short stacking energy: -295.044 Base-Backbone interact. energy: -1.153 local terms energy: -343.278983 where: bonds (distance) C4'-P energy: -67.502 bonds (distance) P-C4' energy: -72.189 flat angles C4'-P-C4' energy: -77.816 flat angles P-C4'-P energy: -33.254 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: 4, replica: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -904.081438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.081438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.081438 (E_RNA) where: Base-Base interactions energy: -581.372 where: short stacking energy: -282.384 Base-Backbone interact. energy: 1.190 local terms energy: -323.898898 where: bonds (distance) C4'-P energy: -59.804 bonds (distance) P-C4' energy: -79.023 flat angles C4'-P-C4' energy: -65.055 flat angles P-C4'-P energy: -51.577 tors. eta vs tors. theta energy: -68.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -932.243775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.243775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.243775 (E_RNA) where: Base-Base interactions energy: -627.146 where: short stacking energy: -264.158 Base-Backbone interact. energy: -2.596 local terms energy: -302.502097 where: bonds (distance) C4'-P energy: -71.130 bonds (distance) P-C4' energy: -53.038 flat angles C4'-P-C4' energy: -70.626 flat angles P-C4'-P energy: -48.322 tors. eta vs tors. theta energy: -59.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -814.945962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.945962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.945962 (E_RNA) where: Base-Base interactions energy: -537.868 where: short stacking energy: -241.448 Base-Backbone interact. energy: 7.595 local terms energy: -284.672723 where: bonds (distance) C4'-P energy: -64.338 bonds (distance) P-C4' energy: -67.029 flat angles C4'-P-C4' energy: -59.472 flat angles P-C4'-P energy: -44.260 tors. eta vs tors. theta energy: -49.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -760.200334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.200334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.200334 (E_RNA) where: Base-Base interactions energy: -483.543 where: short stacking energy: -214.689 Base-Backbone interact. energy: -2.096 local terms energy: -274.561007 where: bonds (distance) C4'-P energy: -51.748 bonds (distance) P-C4' energy: -69.840 flat angles C4'-P-C4' energy: -69.848 flat angles P-C4'-P energy: -33.441 tors. eta vs tors. theta energy: -49.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -606.164971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.164971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.164971 (E_RNA) where: Base-Base interactions energy: -364.118 where: short stacking energy: -172.959 Base-Backbone interact. energy: 2.678 local terms energy: -244.724331 where: bonds (distance) C4'-P energy: -60.931 bonds (distance) P-C4' energy: -54.374 flat angles C4'-P-C4' energy: -59.979 flat angles P-C4'-P energy: -39.788 tors. eta vs tors. theta energy: -29.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -476.809429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.809429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.809429 (E_RNA) where: Base-Base interactions energy: -246.835 where: short stacking energy: -155.500 Base-Backbone interact. energy: 0.564 local terms energy: -230.538926 where: bonds (distance) C4'-P energy: -54.021 bonds (distance) P-C4' energy: -62.437 flat angles C4'-P-C4' energy: -50.811 flat angles P-C4'-P energy: -39.271 tors. eta vs tors. theta energy: -23.999 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: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -296.019878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.019878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.019878 (E_RNA) where: Base-Base interactions energy: -104.839 where: short stacking energy: -96.895 Base-Backbone interact. energy: 3.030 local terms energy: -194.211465 where: bonds (distance) C4'-P energy: -55.377 bonds (distance) P-C4' energy: -57.097 flat angles C4'-P-C4' energy: -45.150 flat angles P-C4'-P energy: -38.870 tors. eta vs tors. theta energy: 2.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1175.390763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.390763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.390763 (E_RNA) where: Base-Base interactions energy: -800.405 where: short stacking energy: -368.852 Base-Backbone interact. energy: 1.589 local terms energy: -376.574438 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -66.846 flat angles C4'-P-C4' energy: -76.426 flat angles P-C4'-P energy: -55.056 tors. eta vs tors. theta energy: -113.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1079.934983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.934983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.934983 (E_RNA) where: Base-Base interactions energy: -723.251 where: short stacking energy: -329.234 Base-Backbone interact. energy: 2.053 local terms energy: -358.737392 where: bonds (distance) C4'-P energy: -63.274 bonds (distance) P-C4' energy: -63.899 flat angles C4'-P-C4' energy: -76.719 flat angles P-C4'-P energy: -56.616 tors. eta vs tors. theta energy: -98.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -971.588601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.588601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.588601 (E_RNA) where: Base-Base interactions energy: -637.678 where: short stacking energy: -307.947 Base-Backbone interact. energy: -0.115 local terms energy: -333.795971 where: bonds (distance) C4'-P energy: -65.109 bonds (distance) P-C4' energy: -68.015 flat angles C4'-P-C4' energy: -70.513 flat angles P-C4'-P energy: -55.645 tors. eta vs tors. theta energy: -74.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1000.233659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.233659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.233659 (E_RNA) where: Base-Base interactions energy: -686.654 where: short stacking energy: -303.504 Base-Backbone interact. energy: -2.426 local terms energy: -311.153389 where: bonds (distance) C4'-P energy: -63.116 bonds (distance) P-C4' energy: -63.618 flat angles C4'-P-C4' energy: -66.230 flat angles P-C4'-P energy: -36.477 tors. eta vs tors. theta energy: -81.712 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: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -851.302580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.302580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.302580 (E_RNA) where: Base-Base interactions energy: -555.489 where: short stacking energy: -252.244 Base-Backbone interact. energy: 1.417 local terms energy: -297.231379 where: bonds (distance) C4'-P energy: -74.495 bonds (distance) P-C4' energy: -62.565 flat angles C4'-P-C4' energy: -73.243 flat angles P-C4'-P energy: -33.987 tors. eta vs tors. theta energy: -52.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -757.719071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.719071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.719071 (E_RNA) where: Base-Base interactions energy: -478.990 where: short stacking energy: -211.628 Base-Backbone interact. energy: -1.101 local terms energy: -277.627484 where: bonds (distance) C4'-P energy: -63.524 bonds (distance) P-C4' energy: -57.052 flat angles C4'-P-C4' energy: -64.549 flat angles P-C4'-P energy: -47.665 tors. eta vs tors. theta energy: -44.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -771.129240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.129240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.129240 (E_RNA) where: Base-Base interactions energy: -508.942 where: short stacking energy: -208.382 Base-Backbone interact. energy: 0.047 local terms energy: -262.234373 where: bonds (distance) C4'-P energy: -63.477 bonds (distance) P-C4' energy: -56.850 flat angles C4'-P-C4' energy: -58.744 flat angles P-C4'-P energy: -40.674 tors. eta vs tors. theta energy: -42.489 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: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -599.717619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.717619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.717619 (E_RNA) where: Base-Base interactions energy: -350.812 where: short stacking energy: -172.415 Base-Backbone interact. energy: 0.282 local terms energy: -249.187302 where: bonds (distance) C4'-P energy: -68.790 bonds (distance) P-C4' energy: -63.302 flat angles C4'-P-C4' energy: -55.904 flat angles P-C4'-P energy: -31.969 tors. eta vs tors. theta energy: -29.223 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: 6 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -477.771270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.771270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.771270 (E_RNA) where: Base-Base interactions energy: -244.012 where: short stacking energy: -136.913 Base-Backbone interact. energy: 1.398 local terms energy: -235.157072 where: bonds (distance) C4'-P energy: -60.696 bonds (distance) P-C4' energy: -57.016 flat angles C4'-P-C4' energy: -51.982 flat angles P-C4'-P energy: -42.071 tors. eta vs tors. theta energy: -23.393 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: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -307.340836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.340836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.340836 (E_RNA) where: Base-Base interactions energy: -133.545 where: short stacking energy: -89.488 Base-Backbone interact. energy: -0.387 local terms energy: -173.409150 where: bonds (distance) C4'-P energy: -64.572 bonds (distance) P-C4' energy: -53.569 flat angles C4'-P-C4' energy: -45.120 flat angles P-C4'-P energy: -17.331 tors. eta vs tors. theta energy: 7.183 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: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1168.366295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.366295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.366295 (E_RNA) where: Base-Base interactions energy: -771.334 where: short stacking energy: -382.741 Base-Backbone interact. energy: 0.060 local terms energy: -397.091941 where: bonds (distance) C4'-P energy: -71.929 bonds (distance) P-C4' energy: -64.189 flat angles C4'-P-C4' energy: -82.165 flat angles P-C4'-P energy: -62.774 tors. eta vs tors. theta energy: -116.034 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: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1087.876897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.876897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.876897 (E_RNA) where: Base-Base interactions energy: -735.051 where: short stacking energy: -329.292 Base-Backbone interact. energy: -1.932 local terms energy: -350.894342 where: bonds (distance) C4'-P energy: -64.811 bonds (distance) P-C4' energy: -49.713 flat angles C4'-P-C4' energy: -77.836 flat angles P-C4'-P energy: -59.919 tors. eta vs tors. theta energy: -98.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -979.269874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.269874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.269874 (E_RNA) where: Base-Base interactions energy: -644.193 where: short stacking energy: -305.751 Base-Backbone interact. energy: -0.557 local terms energy: -334.519415 where: bonds (distance) C4'-P energy: -62.478 bonds (distance) P-C4' energy: -69.179 flat angles C4'-P-C4' energy: -70.156 flat angles P-C4'-P energy: -48.476 tors. eta vs tors. theta energy: -84.231 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: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -946.546725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.546725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.546725 (E_RNA) where: Base-Base interactions energy: -632.317 where: short stacking energy: -277.406 Base-Backbone interact. energy: 2.628 local terms energy: -316.857063 where: bonds (distance) C4'-P energy: -59.518 bonds (distance) P-C4' energy: -70.067 flat angles C4'-P-C4' energy: -69.079 flat angles P-C4'-P energy: -48.504 tors. eta vs tors. theta energy: -69.688 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: 232 Temperature: 1.100000 Total energy: -857.571792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.571792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.571792 (E_RNA) where: Base-Base interactions energy: -558.749 where: short stacking energy: -244.719 Base-Backbone interact. energy: -1.039 local terms energy: -297.783913 where: bonds (distance) C4'-P energy: -61.219 bonds (distance) P-C4' energy: -57.453 flat angles C4'-P-C4' energy: -70.311 flat angles P-C4'-P energy: -52.175 tors. eta vs tors. theta energy: -56.626 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: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -778.875400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.875400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.875400 (E_RNA) where: Base-Base interactions energy: -504.236 where: short stacking energy: -231.732 Base-Backbone interact. energy: 0.148 local terms energy: -274.786844 where: bonds (distance) C4'-P energy: -59.411 bonds (distance) P-C4' energy: -66.544 flat angles C4'-P-C4' energy: -55.444 flat angles P-C4'-P energy: -41.794 tors. eta vs tors. theta energy: -51.593 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: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -762.859043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.859043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.859043 (E_RNA) where: Base-Base interactions energy: -518.981 where: short stacking energy: -229.725 Base-Backbone interact. energy: -0.345 local terms energy: -243.532909 where: bonds (distance) C4'-P energy: -50.758 bonds (distance) P-C4' energy: -58.546 flat angles C4'-P-C4' energy: -55.221 flat angles P-C4'-P energy: -29.799 tors. eta vs tors. theta energy: -49.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -581.543900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.543900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.543900 (E_RNA) where: Base-Base interactions energy: -330.290 where: short stacking energy: -171.308 Base-Backbone interact. energy: -0.609 local terms energy: -250.645317 where: bonds (distance) C4'-P energy: -54.823 bonds (distance) P-C4' energy: -70.651 flat angles C4'-P-C4' energy: -60.592 flat angles P-C4'-P energy: -34.038 tors. eta vs tors. theta energy: -30.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -437.533619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.533619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.533619 (E_RNA) where: Base-Base interactions energy: -212.241 where: short stacking energy: -134.600 Base-Backbone interact. energy: -0.743 local terms energy: -224.549694 where: bonds (distance) C4'-P energy: -50.684 bonds (distance) P-C4' energy: -68.383 flat angles C4'-P-C4' energy: -51.059 flat angles P-C4'-P energy: -36.527 tors. eta vs tors. theta energy: -17.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -285.204717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.204717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.204717 (E_RNA) where: Base-Base interactions energy: -115.669 where: short stacking energy: -92.333 Base-Backbone interact. energy: 4.182 local terms energy: -173.717402 where: bonds (distance) C4'-P energy: -51.367 bonds (distance) P-C4' energy: -54.326 flat angles C4'-P-C4' energy: -49.539 flat angles P-C4'-P energy: -21.063 tors. eta vs tors. theta energy: 2.578 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: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1190.214396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.214396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.214396 (E_RNA) where: Base-Base interactions energy: -791.631 where: short stacking energy: -388.268 Base-Backbone interact. energy: -1.441 local terms energy: -397.142324 where: bonds (distance) C4'-P energy: -70.224 bonds (distance) P-C4' energy: -83.407 flat angles C4'-P-C4' energy: -78.862 flat angles P-C4'-P energy: -50.156 tors. eta vs tors. theta energy: -114.494 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: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1027.802844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.802844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.802844 (E_RNA) where: Base-Base interactions energy: -682.292 where: short stacking energy: -320.523 Base-Backbone interact. energy: 0.437 local terms energy: -345.947391 where: bonds (distance) C4'-P energy: -69.302 bonds (distance) P-C4' energy: -71.899 flat angles C4'-P-C4' energy: -78.127 flat angles P-C4'-P energy: -38.286 tors. eta vs tors. theta energy: -88.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1021.262601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.262601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.262601 (E_RNA) where: Base-Base interactions energy: -676.486 where: short stacking energy: -288.079 Base-Backbone interact. energy: 3.500 local terms energy: -348.276684 where: bonds (distance) C4'-P energy: -69.384 bonds (distance) P-C4' energy: -68.540 flat angles C4'-P-C4' energy: -76.511 flat angles P-C4'-P energy: -46.797 tors. eta vs tors. theta energy: -87.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -937.455636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.455636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.455636 (E_RNA) where: Base-Base interactions energy: -624.747 where: short stacking energy: -279.045 Base-Backbone interact. energy: -0.240 local terms energy: -312.468662 where: bonds (distance) C4'-P energy: -62.431 bonds (distance) P-C4' energy: -67.757 flat angles C4'-P-C4' energy: -65.805 flat angles P-C4'-P energy: -50.138 tors. eta vs tors. theta energy: -66.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -877.377366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.377366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.377366 (E_RNA) where: Base-Base interactions energy: -580.019 where: short stacking energy: -266.962 Base-Backbone interact. energy: 0.281 local terms energy: -297.639697 where: bonds (distance) C4'-P energy: -60.602 bonds (distance) P-C4' energy: -64.873 flat angles C4'-P-C4' energy: -71.666 flat angles P-C4'-P energy: -37.739 tors. eta vs tors. theta energy: -62.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -784.134032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.134032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.134032 (E_RNA) where: Base-Base interactions energy: -510.560 where: short stacking energy: -229.996 Base-Backbone interact. energy: -0.430 local terms energy: -273.143465 where: bonds (distance) C4'-P energy: -54.109 bonds (distance) P-C4' energy: -57.393 flat angles C4'-P-C4' energy: -56.052 flat angles P-C4'-P energy: -53.950 tors. eta vs tors. theta energy: -51.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -742.297957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.297957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.297957 (E_RNA) where: Base-Base interactions energy: -489.997 where: short stacking energy: -219.186 Base-Backbone interact. energy: -0.660 local terms energy: -251.641184 where: bonds (distance) C4'-P energy: -47.080 bonds (distance) P-C4' energy: -59.239 flat angles C4'-P-C4' energy: -67.117 flat angles P-C4'-P energy: -31.518 tors. eta vs tors. theta energy: -46.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -603.434929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.434929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.434929 (E_RNA) where: Base-Base interactions energy: -374.983 where: short stacking energy: -173.370 Base-Backbone interact. energy: -0.515 local terms energy: -227.936821 where: bonds (distance) C4'-P energy: -65.327 bonds (distance) P-C4' energy: -59.778 flat angles C4'-P-C4' energy: -63.698 flat angles P-C4'-P energy: -21.171 tors. eta vs tors. theta energy: -17.962 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: 6 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -448.041299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.041299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.041299 (E_RNA) where: Base-Base interactions energy: -239.802 where: short stacking energy: -139.558 Base-Backbone interact. energy: 0.256 local terms energy: -208.495423 where: bonds (distance) C4'-P energy: -52.150 bonds (distance) P-C4' energy: -60.864 flat angles C4'-P-C4' energy: -54.657 flat angles P-C4'-P energy: -34.230 tors. eta vs tors. theta energy: -6.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -268.917317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.917317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.917317 (E_RNA) where: Base-Base interactions energy: -92.568 where: short stacking energy: -87.413 Base-Backbone interact. energy: 1.459 local terms energy: -177.808672 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -52.494 flat angles C4'-P-C4' energy: -44.800 flat angles P-C4'-P energy: -35.569 tors. eta vs tors. theta energy: 9.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1159.893549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.893549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.893549 (E_RNA) where: Base-Base interactions energy: -781.599 where: short stacking energy: -369.396 Base-Backbone interact. energy: -0.242 local terms energy: -378.052747 where: bonds (distance) C4'-P energy: -66.886 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -79.524 flat angles P-C4'-P energy: -56.926 tors. eta vs tors. theta energy: -108.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1034.186797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.186797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.186797 (E_RNA) where: Base-Base interactions energy: -676.587 where: short stacking energy: -331.879 Base-Backbone interact. energy: -1.384 local terms energy: -356.215550 where: bonds (distance) C4'-P energy: -69.991 bonds (distance) P-C4' energy: -70.444 flat angles C4'-P-C4' energy: -76.017 flat angles P-C4'-P energy: -48.750 tors. eta vs tors. theta energy: -91.013 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: 234 Temperature: 1.000000 Total energy: -1084.076040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.076040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.076040 (E_RNA) where: Base-Base interactions energy: -721.257 where: short stacking energy: -340.616 Base-Backbone interact. energy: -1.258 local terms energy: -361.560824 where: bonds (distance) C4'-P energy: -74.970 bonds (distance) P-C4' energy: -71.687 flat angles C4'-P-C4' energy: -75.433 flat angles P-C4'-P energy: -45.746 tors. eta vs tors. theta energy: -93.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -999.620354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.620354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.620354 (E_RNA) where: Base-Base interactions energy: -661.953 where: short stacking energy: -294.454 Base-Backbone interact. energy: -0.720 local terms energy: -336.947297 where: bonds (distance) C4'-P energy: -67.838 bonds (distance) P-C4' energy: -57.317 flat angles C4'-P-C4' energy: -77.330 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -77.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -840.325300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.325300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.325300 (E_RNA) where: Base-Base interactions energy: -562.786 where: short stacking energy: -248.953 Base-Backbone interact. energy: -1.483 local terms energy: -276.056071 where: bonds (distance) C4'-P energy: -68.047 bonds (distance) P-C4' energy: -45.793 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -59.514 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: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -833.208549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.208549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.208549 (E_RNA) where: Base-Base interactions energy: -542.042 where: short stacking energy: -221.023 Base-Backbone interact. energy: -1.021 local terms energy: -290.146156 where: bonds (distance) C4'-P energy: -59.491 bonds (distance) P-C4' energy: -56.225 flat angles C4'-P-C4' energy: -78.442 flat angles P-C4'-P energy: -39.626 tors. eta vs tors. theta energy: -56.363 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: 234 Temperature: 1.200000 Total energy: -733.592281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.592281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.592281 (E_RNA) where: Base-Base interactions energy: -478.701 where: short stacking energy: -214.281 Base-Backbone interact. energy: -1.792 local terms energy: -253.098669 where: bonds (distance) C4'-P energy: -58.515 bonds (distance) P-C4' energy: -69.233 flat angles C4'-P-C4' energy: -57.422 flat angles P-C4'-P energy: -29.712 tors. eta vs tors. theta energy: -38.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -612.194276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.194276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.194276 (E_RNA) where: Base-Base interactions energy: -376.114 where: short stacking energy: -191.555 Base-Backbone interact. energy: 1.050 local terms energy: -237.130146 where: bonds (distance) C4'-P energy: -46.962 bonds (distance) P-C4' energy: -53.944 flat angles C4'-P-C4' energy: -66.198 flat angles P-C4'-P energy: -37.119 tors. eta vs tors. theta energy: -32.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -444.994432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.994432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.994432 (E_RNA) where: Base-Base interactions energy: -239.889 where: short stacking energy: -135.002 Base-Backbone interact. energy: 0.594 local terms energy: -205.699009 where: bonds (distance) C4'-P energy: -62.392 bonds (distance) P-C4' energy: -67.054 flat angles C4'-P-C4' energy: -49.347 flat angles P-C4'-P energy: -27.596 tors. eta vs tors. theta energy: 0.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -330.742368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.742368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.742368 (E_RNA) where: Base-Base interactions energy: -144.958 where: short stacking energy: -88.514 Base-Backbone interact. energy: 6.936 local terms energy: -192.720375 where: bonds (distance) C4'-P energy: -54.805 bonds (distance) P-C4' energy: -56.096 flat angles C4'-P-C4' energy: -62.366 flat angles P-C4'-P energy: -21.878 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: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1182.991602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.991602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.991602 (E_RNA) where: Base-Base interactions energy: -789.271 where: short stacking energy: -386.993 Base-Backbone interact. energy: -1.138 local terms energy: -392.582499 where: bonds (distance) C4'-P energy: -66.148 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -77.472 flat angles P-C4'-P energy: -61.295 tors. eta vs tors. theta energy: -115.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1102.011627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.011627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.011627 (E_RNA) where: Base-Base interactions energy: -738.493 where: short stacking energy: -329.252 Base-Backbone interact. energy: -2.100 local terms energy: -361.419139 where: bonds (distance) C4'-P energy: -58.445 bonds (distance) P-C4' energy: -74.827 flat angles C4'-P-C4' energy: -80.185 flat angles P-C4'-P energy: -45.440 tors. eta vs tors. theta energy: -102.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -992.766362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.766362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.766362 (E_RNA) where: Base-Base interactions energy: -643.284 where: short stacking energy: -307.128 Base-Backbone interact. energy: -0.569 local terms energy: -348.913690 where: bonds (distance) C4'-P energy: -66.419 bonds (distance) P-C4' energy: -71.232 flat angles C4'-P-C4' energy: -78.141 flat angles P-C4'-P energy: -48.487 tors. eta vs tors. theta energy: -84.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -948.223308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.223308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.223308 (E_RNA) where: Base-Base interactions energy: -639.054 where: short stacking energy: -278.531 Base-Backbone interact. energy: -1.621 local terms energy: -307.547650 where: bonds (distance) C4'-P energy: -59.492 bonds (distance) P-C4' energy: -54.854 flat angles C4'-P-C4' energy: -76.392 flat angles P-C4'-P energy: -45.847 tors. eta vs tors. theta energy: -70.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -860.627259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.627259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.627259 (E_RNA) where: Base-Base interactions energy: -562.890 where: short stacking energy: -272.459 Base-Backbone interact. energy: -0.442 local terms energy: -297.294608 where: bonds (distance) C4'-P energy: -60.821 bonds (distance) P-C4' energy: -55.977 flat angles C4'-P-C4' energy: -69.645 flat angles P-C4'-P energy: -53.808 tors. eta vs tors. theta energy: -57.044 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: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -773.004070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.004070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.004070 (E_RNA) where: Base-Base interactions energy: -488.829 where: short stacking energy: -201.568 Base-Backbone interact. energy: -1.945 local terms energy: -282.229997 where: bonds (distance) C4'-P energy: -56.951 bonds (distance) P-C4' energy: -70.693 flat angles C4'-P-C4' energy: -63.720 flat angles P-C4'-P energy: -47.508 tors. eta vs tors. theta energy: -43.358 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: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -804.197142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.197142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.197142 (E_RNA) where: Base-Base interactions energy: -538.672 where: short stacking energy: -232.241 Base-Backbone interact. energy: 3.458 local terms energy: -268.983557 where: bonds (distance) C4'-P energy: -59.246 bonds (distance) P-C4' energy: -56.085 flat angles C4'-P-C4' energy: -61.371 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: -48.719 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: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -588.482001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.482001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.482001 (E_RNA) where: Base-Base interactions energy: -332.848 where: short stacking energy: -157.195 Base-Backbone interact. energy: -1.331 local terms energy: -254.302637 where: bonds (distance) C4'-P energy: -61.362 bonds (distance) P-C4' energy: -69.942 flat angles C4'-P-C4' energy: -68.831 flat angles P-C4'-P energy: -34.059 tors. eta vs tors. theta energy: -20.109 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: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -450.934116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.934116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.934116 (E_RNA) where: Base-Base interactions energy: -248.176 where: short stacking energy: -124.040 Base-Backbone interact. energy: -3.175 local terms energy: -199.582967 where: bonds (distance) C4'-P energy: -45.156 bonds (distance) P-C4' energy: -53.277 flat angles C4'-P-C4' energy: -58.931 flat angles P-C4'-P energy: -25.403 tors. eta vs tors. theta energy: -16.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -335.837550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.837550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.837550 (E_RNA) where: Base-Base interactions energy: -171.036 where: short stacking energy: -105.341 Base-Backbone interact. energy: 0.183 local terms energy: -164.985208 where: bonds (distance) C4'-P energy: -43.865 bonds (distance) P-C4' energy: -61.097 flat angles C4'-P-C4' energy: -37.547 flat angles P-C4'-P energy: -29.787 tors. eta vs tors. theta energy: 7.310 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: 10 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1182.252334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.252334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.252334 (E_RNA) where: Base-Base interactions energy: -804.255 where: short stacking energy: -390.968 Base-Backbone interact. energy: -0.282 local terms energy: -377.714877 where: bonds (distance) C4'-P energy: -59.455 bonds (distance) P-C4' energy: -66.881 flat angles C4'-P-C4' energy: -83.488 flat angles P-C4'-P energy: -54.642 tors. eta vs tors. theta energy: -113.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1082.490089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.490089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.490089 (E_RNA) where: Base-Base interactions energy: -737.409 where: short stacking energy: -333.954 Base-Backbone interact. energy: -1.364 local terms energy: -343.717964 where: bonds (distance) C4'-P energy: -67.756 bonds (distance) P-C4' energy: -66.795 flat angles C4'-P-C4' energy: -69.674 flat angles P-C4'-P energy: -46.832 tors. eta vs tors. theta energy: -92.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -992.083042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.083042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.083042 (E_RNA) where: Base-Base interactions energy: -650.047 where: short stacking energy: -309.536 Base-Backbone interact. energy: 0.311 local terms energy: -342.346635 where: bonds (distance) C4'-P energy: -71.746 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -66.576 flat angles P-C4'-P energy: -52.414 tors. eta vs tors. theta energy: -82.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -946.142127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.142127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.142127 (E_RNA) where: Base-Base interactions energy: -641.546 where: short stacking energy: -271.627 Base-Backbone interact. energy: 2.997 local terms energy: -307.592470 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -54.695 flat angles C4'-P-C4' energy: -67.683 flat angles P-C4'-P energy: -47.223 tors. eta vs tors. theta energy: -72.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -846.487894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.487894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.487894 (E_RNA) where: Base-Base interactions energy: -553.948 where: short stacking energy: -264.743 Base-Backbone interact. energy: 0.234 local terms energy: -292.773334 where: bonds (distance) C4'-P energy: -61.901 bonds (distance) P-C4' energy: -59.072 flat angles C4'-P-C4' energy: -64.179 flat angles P-C4'-P energy: -37.410 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: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -757.079899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.079899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.079899 (E_RNA) where: Base-Base interactions energy: -486.665 where: short stacking energy: -220.196 Base-Backbone interact. energy: 0.531 local terms energy: -270.946419 where: bonds (distance) C4'-P energy: -62.275 bonds (distance) P-C4' energy: -54.060 flat angles C4'-P-C4' energy: -72.359 flat angles P-C4'-P energy: -41.538 tors. eta vs tors. theta energy: -40.715 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: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -773.114361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.114361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.114361 (E_RNA) where: Base-Base interactions energy: -502.695 where: short stacking energy: -240.687 Base-Backbone interact. energy: -0.533 local terms energy: -269.886325 where: bonds (distance) C4'-P energy: -54.152 bonds (distance) P-C4' energy: -59.724 flat angles C4'-P-C4' energy: -66.216 flat angles P-C4'-P energy: -43.131 tors. eta vs tors. theta energy: -46.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -592.382732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.382732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.382732 (E_RNA) where: Base-Base interactions energy: -348.600 where: short stacking energy: -171.897 Base-Backbone interact. energy: -0.672 local terms energy: -243.111047 where: bonds (distance) C4'-P energy: -59.711 bonds (distance) P-C4' energy: -61.215 flat angles C4'-P-C4' energy: -62.379 flat angles P-C4'-P energy: -32.165 tors. eta vs tors. theta energy: -27.641 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: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -480.804682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.804682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.804682 (E_RNA) where: Base-Base interactions energy: -255.185 where: short stacking energy: -157.587 Base-Backbone interact. energy: -0.689 local terms energy: -224.930396 where: bonds (distance) C4'-P energy: -63.886 bonds (distance) P-C4' energy: -52.407 flat angles C4'-P-C4' energy: -58.267 flat angles P-C4'-P energy: -27.502 tors. eta vs tors. theta energy: -22.869 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: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -292.922060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.922060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.922060 (E_RNA) where: Base-Base interactions energy: -102.875 where: short stacking energy: -89.563 Base-Backbone interact. energy: 6.292 local terms energy: -196.338834 where: bonds (distance) C4'-P energy: -62.637 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -49.439 flat angles P-C4'-P energy: -32.351 tors. eta vs tors. theta energy: 10.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1185.265223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.265223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.265223 (E_RNA) where: Base-Base interactions energy: -801.608 where: short stacking energy: -377.863 Base-Backbone interact. energy: 0.168 local terms energy: -383.824763 where: bonds (distance) C4'-P energy: -67.492 bonds (distance) P-C4' energy: -70.002 flat angles C4'-P-C4' energy: -78.735 flat angles P-C4'-P energy: -53.760 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: 4 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1092.011383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.011383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.011383 (E_RNA) where: Base-Base interactions energy: -738.250 where: short stacking energy: -333.915 Base-Backbone interact. energy: 4.097 local terms energy: -357.858557 where: bonds (distance) C4'-P energy: -66.006 bonds (distance) P-C4' energy: -69.502 flat angles C4'-P-C4' energy: -71.460 flat angles P-C4'-P energy: -54.360 tors. eta vs tors. theta energy: -96.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1008.363114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.363114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.363114 (E_RNA) where: Base-Base interactions energy: -643.054 where: short stacking energy: -305.945 Base-Backbone interact. energy: -0.730 local terms energy: -364.578370 where: bonds (distance) C4'-P energy: -72.291 bonds (distance) P-C4' energy: -76.288 flat angles C4'-P-C4' energy: -71.044 flat angles P-C4'-P energy: -55.995 tors. eta vs tors. theta energy: -88.960 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: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -880.453460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.453460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.453460 (E_RNA) where: Base-Base interactions energy: -587.594 where: short stacking energy: -259.820 Base-Backbone interact. energy: -0.828 local terms energy: -292.030879 where: bonds (distance) C4'-P energy: -55.363 bonds (distance) P-C4' energy: -56.372 flat angles C4'-P-C4' energy: -76.103 flat angles P-C4'-P energy: -47.966 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: 5, replica: 1 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -858.947629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.947629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.947629 (E_RNA) where: Base-Base interactions energy: -556.099 where: short stacking energy: -252.410 Base-Backbone interact. energy: -0.720 local terms energy: -302.128735 where: bonds (distance) C4'-P energy: -68.279 bonds (distance) P-C4' energy: -66.748 flat angles C4'-P-C4' energy: -55.630 flat angles P-C4'-P energy: -39.280 tors. eta vs tors. theta energy: -72.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -812.109682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.109682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.109682 (E_RNA) where: Base-Base interactions energy: -538.554 where: short stacking energy: -255.637 Base-Backbone interact. energy: -0.322 local terms energy: -273.233233 where: bonds (distance) C4'-P energy: -49.031 bonds (distance) P-C4' energy: -69.133 flat angles C4'-P-C4' energy: -49.031 flat angles P-C4'-P energy: -40.782 tors. eta vs tors. theta energy: -65.255 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: 237 Temperature: 1.200000 Total energy: -730.211762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.211762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.211762 (E_RNA) where: Base-Base interactions energy: -457.228 where: short stacking energy: -209.365 Base-Backbone interact. energy: -0.821 local terms energy: -272.163315 where: bonds (distance) C4'-P energy: -52.280 bonds (distance) P-C4' energy: -65.329 flat angles C4'-P-C4' energy: -64.189 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -43.096 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: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -634.183759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.183759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.183759 (E_RNA) where: Base-Base interactions energy: -397.406 where: short stacking energy: -193.248 Base-Backbone interact. energy: -0.941 local terms energy: -235.836787 where: bonds (distance) C4'-P energy: -52.044 bonds (distance) P-C4' energy: -56.935 flat angles C4'-P-C4' energy: -58.092 flat angles P-C4'-P energy: -26.671 tors. eta vs tors. theta energy: -42.095 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: 6 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -436.249851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.249851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.249851 (E_RNA) where: Base-Base interactions energy: -216.917 where: short stacking energy: -134.161 Base-Backbone interact. energy: 0.206 local terms energy: -219.538728 where: bonds (distance) C4'-P energy: -60.393 bonds (distance) P-C4' energy: -62.593 flat angles C4'-P-C4' energy: -52.764 flat angles P-C4'-P energy: -29.237 tors. eta vs tors. theta energy: -14.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -284.090768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.090768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.090768 (E_RNA) where: Base-Base interactions energy: -118.324 where: short stacking energy: -99.994 Base-Backbone interact. energy: 2.615 local terms energy: -168.381458 where: bonds (distance) C4'-P energy: -63.116 bonds (distance) P-C4' energy: -43.434 flat angles C4'-P-C4' energy: -40.414 flat angles P-C4'-P energy: -33.512 tors. eta vs tors. theta energy: 12.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1183.851030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.851030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.851030 (E_RNA) where: Base-Base interactions energy: -800.262 where: short stacking energy: -383.259 Base-Backbone interact. energy: -0.601 local terms energy: -382.988341 where: bonds (distance) C4'-P energy: -69.403 bonds (distance) P-C4' energy: -73.347 flat angles C4'-P-C4' energy: -80.727 flat angles P-C4'-P energy: -46.761 tors. eta vs tors. theta energy: -112.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1104.988678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.988678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.988678 (E_RNA) where: Base-Base interactions energy: -744.468 where: short stacking energy: -342.433 Base-Backbone interact. energy: -0.264 local terms energy: -360.256836 where: bonds (distance) C4'-P energy: -67.080 bonds (distance) P-C4' energy: -74.672 flat angles C4'-P-C4' energy: -76.986 flat angles P-C4'-P energy: -42.870 tors. eta vs tors. theta energy: -98.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -998.815942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.815942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.815942 (E_RNA) where: Base-Base interactions energy: -660.967 where: short stacking energy: -313.371 Base-Backbone interact. energy: -0.537 local terms energy: -337.311656 where: bonds (distance) C4'-P energy: -67.736 bonds (distance) P-C4' energy: -67.249 flat angles C4'-P-C4' energy: -71.966 flat angles P-C4'-P energy: -40.791 tors. eta vs tors. theta energy: -89.569 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: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -899.574987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.574987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.574987 (E_RNA) where: Base-Base interactions energy: -590.553 where: short stacking energy: -274.981 Base-Backbone interact. energy: 2.874 local terms energy: -311.895784 where: bonds (distance) C4'-P energy: -67.865 bonds (distance) P-C4' energy: -64.744 flat angles C4'-P-C4' energy: -82.173 flat angles P-C4'-P energy: -31.039 tors. eta vs tors. theta energy: -66.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -858.332232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.332232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.332232 (E_RNA) where: Base-Base interactions energy: -545.699 where: short stacking energy: -257.798 Base-Backbone interact. energy: 0.452 local terms energy: -313.085198 where: bonds (distance) C4'-P energy: -59.743 bonds (distance) P-C4' energy: -72.117 flat angles C4'-P-C4' energy: -74.746 flat angles P-C4'-P energy: -47.460 tors. eta vs tors. theta energy: -59.019 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: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -854.260429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.260429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.260429 (E_RNA) where: Base-Base interactions energy: -549.657 where: short stacking energy: -266.116 Base-Backbone interact. energy: -1.675 local terms energy: -302.928731 where: bonds (distance) C4'-P energy: -55.828 bonds (distance) P-C4' energy: -66.473 flat angles C4'-P-C4' energy: -69.857 flat angles P-C4'-P energy: -46.879 tors. eta vs tors. theta energy: -63.892 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: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -680.599055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.599055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.599055 (E_RNA) where: Base-Base interactions energy: -438.496 where: short stacking energy: -225.122 Base-Backbone interact. energy: -1.018 local terms energy: -241.085295 where: bonds (distance) C4'-P energy: -48.626 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -61.377 flat angles P-C4'-P energy: -29.374 tors. eta vs tors. theta energy: -42.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -734.439124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.439124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.439124 (E_RNA) where: Base-Base interactions energy: -506.555 where: short stacking energy: -208.751 Base-Backbone interact. energy: 1.885 local terms energy: -229.768538 where: bonds (distance) C4'-P energy: -56.263 bonds (distance) P-C4' energy: -51.903 flat angles C4'-P-C4' energy: -64.475 flat angles P-C4'-P energy: -25.236 tors. eta vs tors. theta energy: -31.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -410.503748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.503748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.503748 (E_RNA) where: Base-Base interactions energy: -199.532 where: short stacking energy: -112.564 Base-Backbone interact. energy: 4.014 local terms energy: -214.985177 where: bonds (distance) C4'-P energy: -57.582 bonds (distance) P-C4' energy: -50.336 flat angles C4'-P-C4' energy: -55.841 flat angles P-C4'-P energy: -34.192 tors. eta vs tors. theta energy: -17.035 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: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -312.509683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.509683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.509683 (E_RNA) where: Base-Base interactions energy: -123.212 where: short stacking energy: -92.031 Base-Backbone interact. energy: -1.337 local terms energy: -187.960497 where: bonds (distance) C4'-P energy: -57.658 bonds (distance) P-C4' energy: -54.935 flat angles C4'-P-C4' energy: -56.378 flat angles P-C4'-P energy: -26.128 tors. eta vs tors. theta energy: 7.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1184.624009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.624009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.624009 (E_RNA) where: Base-Base interactions energy: -785.295 where: short stacking energy: -382.663 Base-Backbone interact. energy: -1.804 local terms energy: -397.525634 where: bonds (distance) C4'-P energy: -71.399 bonds (distance) P-C4' energy: -69.096 flat angles C4'-P-C4' energy: -85.818 flat angles P-C4'-P energy: -55.907 tors. eta vs tors. theta energy: -115.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1085.975342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.975342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.975342 (E_RNA) where: Base-Base interactions energy: -727.270 where: short stacking energy: -331.890 Base-Backbone interact. energy: -1.545 local terms energy: -357.159663 where: bonds (distance) C4'-P energy: -60.863 bonds (distance) P-C4' energy: -74.151 flat angles C4'-P-C4' energy: -78.843 flat angles P-C4'-P energy: -49.605 tors. eta vs tors. theta energy: -93.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -997.276881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.276881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.276881 (E_RNA) where: Base-Base interactions energy: -666.576 where: short stacking energy: -299.591 Base-Backbone interact. energy: -1.267 local terms energy: -329.434321 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -57.126 flat angles C4'-P-C4' energy: -83.094 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -84.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -928.912178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.912178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.912178 (E_RNA) where: Base-Base interactions energy: -599.875 where: short stacking energy: -276.271 Base-Backbone interact. energy: -0.082 local terms energy: -328.955324 where: bonds (distance) C4'-P energy: -66.098 bonds (distance) P-C4' energy: -70.180 flat angles C4'-P-C4' energy: -70.042 flat angles P-C4'-P energy: -52.398 tors. eta vs tors. theta energy: -70.238 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: 5, replica: 5 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -862.102995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.102995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.102995 (E_RNA) where: Base-Base interactions energy: -561.613 where: short stacking energy: -244.695 Base-Backbone interact. energy: -0.951 local terms energy: -299.538385 where: bonds (distance) C4'-P energy: -66.017 bonds (distance) P-C4' energy: -61.545 flat angles C4'-P-C4' energy: -72.775 flat angles P-C4'-P energy: -40.309 tors. eta vs tors. theta energy: -58.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -800.175603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.175603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.175603 (E_RNA) where: Base-Base interactions energy: -501.930 where: short stacking energy: -247.613 Base-Backbone interact. energy: 0.758 local terms energy: -299.003958 where: bonds (distance) C4'-P energy: -58.552 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -61.410 flat angles P-C4'-P energy: -54.968 tors. eta vs tors. theta energy: -61.077 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: 7, replica: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -658.255650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.255650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.255650 (E_RNA) where: Base-Base interactions energy: -413.341 where: short stacking energy: -192.234 Base-Backbone interact. energy: 1.195 local terms energy: -246.109518 where: bonds (distance) C4'-P energy: -59.965 bonds (distance) P-C4' energy: -61.750 flat angles C4'-P-C4' energy: -53.996 flat angles P-C4'-P energy: -37.173 tors. eta vs tors. theta energy: -33.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -674.441040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.441040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.441040 (E_RNA) where: Base-Base interactions energy: -451.932 where: short stacking energy: -200.054 Base-Backbone interact. energy: 1.520 local terms energy: -224.029080 where: bonds (distance) C4'-P energy: -50.261 bonds (distance) P-C4' energy: -48.655 flat angles C4'-P-C4' energy: -63.943 flat angles P-C4'-P energy: -26.863 tors. eta vs tors. theta energy: -34.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -448.267536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.267536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.267536 (E_RNA) where: Base-Base interactions energy: -236.737 where: short stacking energy: -134.632 Base-Backbone interact. energy: 3.021 local terms energy: -214.552304 where: bonds (distance) C4'-P energy: -39.787 bonds (distance) P-C4' energy: -60.331 flat angles C4'-P-C4' energy: -51.672 flat angles P-C4'-P energy: -38.236 tors. eta vs tors. theta energy: -24.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -314.441692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.441692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.441692 (E_RNA) where: Base-Base interactions energy: -136.308 where: short stacking energy: -105.169 Base-Backbone interact. energy: 2.411 local terms energy: -180.544486 where: bonds (distance) C4'-P energy: -60.978 bonds (distance) P-C4' energy: -64.157 flat angles C4'-P-C4' energy: -46.087 flat angles P-C4'-P energy: -20.964 tors. eta vs tors. theta energy: 11.642 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: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1169.247198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.247198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.247198 (E_RNA) where: Base-Base interactions energy: -790.051 where: short stacking energy: -373.555 Base-Backbone interact. energy: -1.552 local terms energy: -377.643582 where: bonds (distance) C4'-P energy: -65.019 bonds (distance) P-C4' energy: -67.553 flat angles C4'-P-C4' energy: -83.055 flat angles P-C4'-P energy: -52.950 tors. eta vs tors. theta energy: -109.066 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: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1092.439663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.439663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.439663 (E_RNA) where: Base-Base interactions energy: -724.294 where: short stacking energy: -340.232 Base-Backbone interact. energy: -2.860 local terms energy: -365.285830 where: bonds (distance) C4'-P energy: -65.138 bonds (distance) P-C4' energy: -79.063 flat angles C4'-P-C4' energy: -76.215 flat angles P-C4'-P energy: -45.505 tors. eta vs tors. theta energy: -99.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1021.168871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.168871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.168871 (E_RNA) where: Base-Base interactions energy: -685.812 where: short stacking energy: -331.637 Base-Backbone interact. energy: 2.006 local terms energy: -337.362296 where: bonds (distance) C4'-P energy: -62.001 bonds (distance) P-C4' energy: -71.701 flat angles C4'-P-C4' energy: -70.540 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -88.526 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: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -876.343532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.343532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.343532 (E_RNA) where: Base-Base interactions energy: -575.544 where: short stacking energy: -275.979 Base-Backbone interact. energy: -1.734 local terms energy: -299.066019 where: bonds (distance) C4'-P energy: -53.113 bonds (distance) P-C4' energy: -67.127 flat angles C4'-P-C4' energy: -68.022 flat angles P-C4'-P energy: -46.361 tors. eta vs tors. theta energy: -64.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -847.184416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.184416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.184416 (E_RNA) where: Base-Base interactions energy: -545.127 where: short stacking energy: -262.048 Base-Backbone interact. energy: -0.424 local terms energy: -301.632779 where: bonds (distance) C4'-P energy: -62.258 bonds (distance) P-C4' energy: -65.279 flat angles C4'-P-C4' energy: -67.912 flat angles P-C4'-P energy: -46.537 tors. eta vs tors. theta energy: -59.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -791.702218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.702218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.702218 (E_RNA) where: Base-Base interactions energy: -509.150 where: short stacking energy: -250.127 Base-Backbone interact. energy: -2.372 local terms energy: -280.179661 where: bonds (distance) C4'-P energy: -52.616 bonds (distance) P-C4' energy: -65.401 flat angles C4'-P-C4' energy: -56.720 flat angles P-C4'-P energy: -44.735 tors. eta vs tors. theta energy: -60.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -669.779370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.779370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.779370 (E_RNA) where: Base-Base interactions energy: -412.503 where: short stacking energy: -207.523 Base-Backbone interact. energy: 1.510 local terms energy: -258.786313 where: bonds (distance) C4'-P energy: -61.483 bonds (distance) P-C4' energy: -62.418 flat angles C4'-P-C4' energy: -52.525 flat angles P-C4'-P energy: -40.144 tors. eta vs tors. theta energy: -42.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -671.315413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.315413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.315413 (E_RNA) where: Base-Base interactions energy: -413.678 where: short stacking energy: -193.538 Base-Backbone interact. energy: -0.554 local terms energy: -257.083543 where: bonds (distance) C4'-P energy: -60.429 bonds (distance) P-C4' energy: -56.171 flat angles C4'-P-C4' energy: -59.704 flat angles P-C4'-P energy: -39.178 tors. eta vs tors. theta energy: -41.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -461.952318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.952318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.952318 (E_RNA) where: Base-Base interactions energy: -245.475 where: short stacking energy: -127.256 Base-Backbone interact. energy: -2.034 local terms energy: -214.443789 where: bonds (distance) C4'-P energy: -37.859 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -67.888 flat angles P-C4'-P energy: -30.622 tors. eta vs tors. theta energy: -14.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -287.096567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.096567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.096567 (E_RNA) where: Base-Base interactions energy: -86.521 where: short stacking energy: -73.738 Base-Backbone interact. energy: 3.361 local terms energy: -203.936158 where: bonds (distance) C4'-P energy: -61.862 bonds (distance) P-C4' energy: -66.488 flat angles C4'-P-C4' energy: -51.125 flat angles P-C4'-P energy: -28.375 tors. eta vs tors. theta energy: 3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1195.277675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.277675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.277675 (E_RNA) where: Base-Base interactions energy: -802.714 where: short stacking energy: -377.400 Base-Backbone interact. energy: -0.517 local terms energy: -392.046951 where: bonds (distance) C4'-P energy: -70.230 bonds (distance) P-C4' energy: -67.855 flat angles C4'-P-C4' energy: -86.077 flat angles P-C4'-P energy: -54.403 tors. eta vs tors. theta energy: -113.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1075.063012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.063012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.063012 (E_RNA) where: Base-Base interactions energy: -730.425 where: short stacking energy: -341.464 Base-Backbone interact. energy: -1.176 local terms energy: -343.461727 where: bonds (distance) C4'-P energy: -51.907 bonds (distance) P-C4' energy: -59.652 flat angles C4'-P-C4' energy: -78.766 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -96.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -987.962299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.962299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.962299 (E_RNA) where: Base-Base interactions energy: -636.178 where: short stacking energy: -290.865 Base-Backbone interact. energy: 0.315 local terms energy: -352.099203 where: bonds (distance) C4'-P energy: -75.621 bonds (distance) P-C4' energy: -76.095 flat angles C4'-P-C4' energy: -79.038 flat angles P-C4'-P energy: -46.880 tors. eta vs tors. theta energy: -74.465 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: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -916.285594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.285594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.285594 (E_RNA) where: Base-Base interactions energy: -610.952 where: short stacking energy: -283.622 Base-Backbone interact. energy: 0.363 local terms energy: -305.696319 where: bonds (distance) C4'-P energy: -63.866 bonds (distance) P-C4' energy: -66.576 flat angles C4'-P-C4' energy: -69.922 flat angles P-C4'-P energy: -35.260 tors. eta vs tors. theta energy: -70.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -863.749133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.749133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.749133 (E_RNA) where: Base-Base interactions energy: -566.931 where: short stacking energy: -268.272 Base-Backbone interact. energy: 0.388 local terms energy: -297.205835 where: bonds (distance) C4'-P energy: -62.758 bonds (distance) P-C4' energy: -59.946 flat angles C4'-P-C4' energy: -62.402 flat angles P-C4'-P energy: -44.150 tors. eta vs tors. theta energy: -67.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -761.719872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.719872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.719872 (E_RNA) where: Base-Base interactions energy: -480.572 where: short stacking energy: -223.385 Base-Backbone interact. energy: -2.722 local terms energy: -278.425734 where: bonds (distance) C4'-P energy: -58.624 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -70.754 flat angles P-C4'-P energy: -32.501 tors. eta vs tors. theta energy: -52.271 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: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -643.895433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.895433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.895433 (E_RNA) where: Base-Base interactions energy: -411.924 where: short stacking energy: -205.964 Base-Backbone interact. energy: 4.713 local terms energy: -236.684727 where: bonds (distance) C4'-P energy: -52.171 bonds (distance) P-C4' energy: -51.300 flat angles C4'-P-C4' energy: -57.774 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: -32.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -615.947166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.947166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.947166 (E_RNA) where: Base-Base interactions energy: -371.665 where: short stacking energy: -156.377 Base-Backbone interact. energy: 1.850 local terms energy: -246.132161 where: bonds (distance) C4'-P energy: -74.890 bonds (distance) P-C4' energy: -61.698 flat angles C4'-P-C4' energy: -56.566 flat angles P-C4'-P energy: -21.270 tors. eta vs tors. theta energy: -31.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -457.667224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.667224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.667224 (E_RNA) where: Base-Base interactions energy: -238.685 where: short stacking energy: -125.280 Base-Backbone interact. energy: 0.090 local terms energy: -219.073042 where: bonds (distance) C4'-P energy: -48.810 bonds (distance) P-C4' energy: -65.395 flat angles C4'-P-C4' energy: -58.191 flat angles P-C4'-P energy: -30.850 tors. eta vs tors. theta energy: -15.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -297.370130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.370130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.370130 (E_RNA) where: Base-Base interactions energy: -111.120 where: short stacking energy: -100.714 Base-Backbone interact. energy: 1.154 local terms energy: -187.404875 where: bonds (distance) C4'-P energy: -62.699 bonds (distance) P-C4' energy: -46.752 flat angles C4'-P-C4' energy: -51.286 flat angles P-C4'-P energy: -29.797 tors. eta vs tors. theta energy: 3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1178.422278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.422278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.422278 (E_RNA) where: Base-Base interactions energy: -806.841 where: short stacking energy: -379.715 Base-Backbone interact. energy: -0.410 local terms energy: -371.171092 where: bonds (distance) C4'-P energy: -60.568 bonds (distance) P-C4' energy: -74.586 flat angles C4'-P-C4' energy: -77.115 flat angles P-C4'-P energy: -48.377 tors. eta vs tors. theta energy: -110.526 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: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1071.855179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.855179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.855179 (E_RNA) where: Base-Base interactions energy: -717.639 where: short stacking energy: -346.602 Base-Backbone interact. energy: -1.580 local terms energy: -352.636733 where: bonds (distance) C4'-P energy: -61.872 bonds (distance) P-C4' energy: -66.946 flat angles C4'-P-C4' energy: -79.638 flat angles P-C4'-P energy: -45.057 tors. eta vs tors. theta energy: -99.124 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: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1007.603540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.603540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.603540 (E_RNA) where: Base-Base interactions energy: -679.419 where: short stacking energy: -338.949 Base-Backbone interact. energy: -2.085 local terms energy: -326.099620 where: bonds (distance) C4'-P energy: -62.350 bonds (distance) P-C4' energy: -62.797 flat angles C4'-P-C4' energy: -73.717 flat angles P-C4'-P energy: -42.749 tors. eta vs tors. theta energy: -84.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -921.629042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.629042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.629042 (E_RNA) where: Base-Base interactions energy: -596.164 where: short stacking energy: -287.707 Base-Backbone interact. energy: 0.544 local terms energy: -326.009211 where: bonds (distance) C4'-P energy: -66.518 bonds (distance) P-C4' energy: -62.389 flat angles C4'-P-C4' energy: -68.970 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: -80.016 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: 242 Temperature: 1.100000 Total energy: -894.304710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.304710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.304710 (E_RNA) where: Base-Base interactions energy: -568.541 where: short stacking energy: -270.844 Base-Backbone interact. energy: -1.603 local terms energy: -324.160393 where: bonds (distance) C4'-P energy: -71.029 bonds (distance) P-C4' energy: -74.136 flat angles C4'-P-C4' energy: -65.443 flat angles P-C4'-P energy: -47.076 tors. eta vs tors. theta energy: -66.477 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: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -796.697689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.697689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.697689 (E_RNA) where: Base-Base interactions energy: -500.006 where: short stacking energy: -238.809 Base-Backbone interact. energy: -0.820 local terms energy: -295.872259 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -74.009 flat angles C4'-P-C4' energy: -68.315 flat angles P-C4'-P energy: -37.015 tors. eta vs tors. theta energy: -54.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -635.943436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.943436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.943436 (E_RNA) where: Base-Base interactions energy: -387.453 where: short stacking energy: -199.933 Base-Backbone interact. energy: -0.686 local terms energy: -247.805195 where: bonds (distance) C4'-P energy: -50.315 bonds (distance) P-C4' energy: -59.797 flat angles C4'-P-C4' energy: -52.020 flat angles P-C4'-P energy: -37.211 tors. eta vs tors. theta energy: -48.463 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: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -558.288987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.288987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.288987 (E_RNA) where: Base-Base interactions energy: -334.447 where: short stacking energy: -148.264 Base-Backbone interact. energy: -1.215 local terms energy: -222.627273 where: bonds (distance) C4'-P energy: -51.514 bonds (distance) P-C4' energy: -68.682 flat angles C4'-P-C4' energy: -63.941 flat angles P-C4'-P energy: -26.275 tors. eta vs tors. theta energy: -12.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -490.900027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.900027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.900027 (E_RNA) where: Base-Base interactions energy: -261.221 where: short stacking energy: -146.428 Base-Backbone interact. energy: 0.469 local terms energy: -230.148120 where: bonds (distance) C4'-P energy: -63.875 bonds (distance) P-C4' energy: -62.776 flat angles C4'-P-C4' energy: -54.818 flat angles P-C4'-P energy: -25.859 tors. eta vs tors. theta energy: -22.819 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: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -293.555791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.555791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.555791 (E_RNA) where: Base-Base interactions energy: -107.593 where: short stacking energy: -73.527 Base-Backbone interact. energy: 6.118 local terms energy: -192.080132 where: bonds (distance) C4'-P energy: -61.317 bonds (distance) P-C4' energy: -65.969 flat angles C4'-P-C4' energy: -53.836 flat angles P-C4'-P energy: -13.378 tors. eta vs tors. theta energy: 2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1170.688917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.688917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.688917 (E_RNA) where: Base-Base interactions energy: -788.901 where: short stacking energy: -382.230 Base-Backbone interact. energy: 2.430 local terms energy: -384.217834 where: bonds (distance) C4'-P energy: -53.235 bonds (distance) P-C4' energy: -76.377 flat angles C4'-P-C4' energy: -87.011 flat angles P-C4'-P energy: -54.941 tors. eta vs tors. theta energy: -112.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1077.653961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.653961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.653961 (E_RNA) where: Base-Base interactions energy: -717.735 where: short stacking energy: -348.658 Base-Backbone interact. energy: 1.306 local terms energy: -361.224610 where: bonds (distance) C4'-P energy: -63.728 bonds (distance) P-C4' energy: -76.044 flat angles C4'-P-C4' energy: -75.683 flat angles P-C4'-P energy: -49.865 tors. eta vs tors. theta energy: -95.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -986.793139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.793139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.793139 (E_RNA) where: Base-Base interactions energy: -662.378 where: short stacking energy: -311.300 Base-Backbone interact. energy: -0.351 local terms energy: -324.063781 where: bonds (distance) C4'-P energy: -68.718 bonds (distance) P-C4' energy: -71.574 flat angles C4'-P-C4' energy: -62.987 flat angles P-C4'-P energy: -44.555 tors. eta vs tors. theta energy: -76.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -944.842294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.842294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.842294 (E_RNA) where: Base-Base interactions energy: -632.044 where: short stacking energy: -285.382 Base-Backbone interact. energy: -0.984 local terms energy: -311.814680 where: bonds (distance) C4'-P energy: -59.377 bonds (distance) P-C4' energy: -58.188 flat angles C4'-P-C4' energy: -76.979 flat angles P-C4'-P energy: -46.572 tors. eta vs tors. theta energy: -70.699 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: 5, replica: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -845.741528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.741528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.741528 (E_RNA) where: Base-Base interactions energy: -558.885 where: short stacking energy: -251.620 Base-Backbone interact. energy: -0.593 local terms energy: -286.263191 where: bonds (distance) C4'-P energy: -65.852 bonds (distance) P-C4' energy: -46.782 flat angles C4'-P-C4' energy: -70.771 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -54.544 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: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -748.783183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.783183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.783183 (E_RNA) where: Base-Base interactions energy: -468.041 where: short stacking energy: -224.798 Base-Backbone interact. energy: -1.843 local terms energy: -278.899244 where: bonds (distance) C4'-P energy: -63.717 bonds (distance) P-C4' energy: -60.531 flat angles C4'-P-C4' energy: -63.990 flat angles P-C4'-P energy: -36.011 tors. eta vs tors. theta energy: -54.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -636.845407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.845407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.845407 (E_RNA) where: Base-Base interactions energy: -376.766 where: short stacking energy: -205.783 Base-Backbone interact. energy: 2.172 local terms energy: -262.250685 where: bonds (distance) C4'-P energy: -62.662 bonds (distance) P-C4' energy: -58.953 flat angles C4'-P-C4' energy: -55.928 flat angles P-C4'-P energy: -39.301 tors. eta vs tors. theta energy: -45.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -593.999099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.999099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.999099 (E_RNA) where: Base-Base interactions energy: -367.916 where: short stacking energy: -166.059 Base-Backbone interact. energy: 5.030 local terms energy: -231.112625 where: bonds (distance) C4'-P energy: -55.777 bonds (distance) P-C4' energy: -49.798 flat angles C4'-P-C4' energy: -59.243 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -22.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -473.623655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.623655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.623655 (E_RNA) where: Base-Base interactions energy: -263.989 where: short stacking energy: -150.761 Base-Backbone interact. energy: -1.344 local terms energy: -208.290984 where: bonds (distance) C4'-P energy: -51.127 bonds (distance) P-C4' energy: -51.161 flat angles C4'-P-C4' energy: -48.300 flat angles P-C4'-P energy: -30.197 tors. eta vs tors. theta energy: -27.507 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: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -315.418596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.418596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.418596 (E_RNA) where: Base-Base interactions energy: -128.893 where: short stacking energy: -108.008 Base-Backbone interact. energy: 2.599 local terms energy: -189.124149 where: bonds (distance) C4'-P energy: -53.996 bonds (distance) P-C4' energy: -50.498 flat angles C4'-P-C4' energy: -48.074 flat angles P-C4'-P energy: -27.885 tors. eta vs tors. theta energy: -8.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1165.467473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.467473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.467473 (E_RNA) where: Base-Base interactions energy: -787.111 where: short stacking energy: -358.928 Base-Backbone interact. energy: -0.717 local terms energy: -377.639459 where: bonds (distance) C4'-P energy: -74.566 bonds (distance) P-C4' energy: -69.347 flat angles C4'-P-C4' energy: -75.604 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -102.990 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: 244 Temperature: 0.950000 Total energy: -1056.502412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.502412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.502412 (E_RNA) where: Base-Base interactions energy: -717.311 where: short stacking energy: -334.915 Base-Backbone interact. energy: 1.321 local terms energy: -340.512803 where: bonds (distance) C4'-P energy: -60.257 bonds (distance) P-C4' energy: -67.614 flat angles C4'-P-C4' energy: -70.196 flat angles P-C4'-P energy: -50.160 tors. eta vs tors. theta energy: -92.286 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: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -982.981191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.981191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.981191 (E_RNA) where: Base-Base interactions energy: -640.431 where: short stacking energy: -311.741 Base-Backbone interact. energy: -0.557 local terms energy: -341.993543 where: bonds (distance) C4'-P energy: -73.570 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -70.017 flat angles P-C4'-P energy: -51.690 tors. eta vs tors. theta energy: -80.793 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: 5 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -965.057334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.057334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.057334 (E_RNA) where: Base-Base interactions energy: -631.411 where: short stacking energy: -307.029 Base-Backbone interact. energy: 0.096 local terms energy: -333.741814 where: bonds (distance) C4'-P energy: -66.355 bonds (distance) P-C4' energy: -71.344 flat angles C4'-P-C4' energy: -69.357 flat angles P-C4'-P energy: -45.747 tors. eta vs tors. theta energy: -80.938 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: 9 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -853.482309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.482309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.482309 (E_RNA) where: Base-Base interactions energy: -561.268 where: short stacking energy: -262.183 Base-Backbone interact. energy: -1.552 local terms energy: -290.661952 where: bonds (distance) C4'-P energy: -63.924 bonds (distance) P-C4' energy: -70.624 flat angles C4'-P-C4' energy: -62.219 flat angles P-C4'-P energy: -35.502 tors. eta vs tors. theta energy: -58.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -729.064612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.064612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.064612 (E_RNA) where: Base-Base interactions energy: -461.769 where: short stacking energy: -214.984 Base-Backbone interact. energy: 0.661 local terms energy: -267.957476 where: bonds (distance) C4'-P energy: -64.627 bonds (distance) P-C4' energy: -63.000 flat angles C4'-P-C4' energy: -59.410 flat angles P-C4'-P energy: -37.140 tors. eta vs tors. theta energy: -43.781 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: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -667.060907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.060907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.060907 (E_RNA) where: Base-Base interactions energy: -401.567 where: short stacking energy: -206.689 Base-Backbone interact. energy: 3.993 local terms energy: -269.487566 where: bonds (distance) C4'-P energy: -62.611 bonds (distance) P-C4' energy: -62.893 flat angles C4'-P-C4' energy: -66.840 flat angles P-C4'-P energy: -35.741 tors. eta vs tors. theta energy: -41.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -595.312858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.312858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.312858 (E_RNA) where: Base-Base interactions energy: -347.021 where: short stacking energy: -172.511 Base-Backbone interact. energy: -1.881 local terms energy: -246.410956 where: bonds (distance) C4'-P energy: -51.287 bonds (distance) P-C4' energy: -57.465 flat angles C4'-P-C4' energy: -61.693 flat angles P-C4'-P energy: -33.216 tors. eta vs tors. theta energy: -42.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -453.594461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.594461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.594461 (E_RNA) where: Base-Base interactions energy: -240.061 where: short stacking energy: -145.674 Base-Backbone interact. energy: -0.140 local terms energy: -213.392766 where: bonds (distance) C4'-P energy: -52.577 bonds (distance) P-C4' energy: -60.885 flat angles C4'-P-C4' energy: -50.993 flat angles P-C4'-P energy: -28.740 tors. eta vs tors. theta energy: -20.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -282.985652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.985652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.985652 (E_RNA) where: Base-Base interactions energy: -94.378 where: short stacking energy: -77.720 Base-Backbone interact. energy: 3.006 local terms energy: -191.613374 where: bonds (distance) C4'-P energy: -52.295 bonds (distance) P-C4' energy: -56.929 flat angles C4'-P-C4' energy: -47.004 flat angles P-C4'-P energy: -32.053 tors. eta vs tors. theta energy: -3.333 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: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1167.725177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.725177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.725177 (E_RNA) where: Base-Base interactions energy: -800.847 where: short stacking energy: -365.109 Base-Backbone interact. energy: -0.869 local terms energy: -366.009392 where: bonds (distance) C4'-P energy: -66.175 bonds (distance) P-C4' energy: -63.815 flat angles C4'-P-C4' energy: -80.683 flat angles P-C4'-P energy: -52.930 tors. eta vs tors. theta energy: -102.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1075.843390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.843390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.843390 (E_RNA) where: Base-Base interactions energy: -711.300 where: short stacking energy: -329.806 Base-Backbone interact. energy: -1.274 local terms energy: -363.269668 where: bonds (distance) C4'-P energy: -74.566 bonds (distance) P-C4' energy: -68.998 flat angles C4'-P-C4' energy: -72.718 flat angles P-C4'-P energy: -51.797 tors. eta vs tors. theta energy: -95.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1010.523632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.523632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.523632 (E_RNA) where: Base-Base interactions energy: -685.226 where: short stacking energy: -332.959 Base-Backbone interact. energy: -0.250 local terms energy: -325.047031 where: bonds (distance) C4'-P energy: -65.256 bonds (distance) P-C4' energy: -65.452 flat angles C4'-P-C4' energy: -68.433 flat angles P-C4'-P energy: -39.420 tors. eta vs tors. theta energy: -86.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -941.206184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.206184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.206184 (E_RNA) where: Base-Base interactions energy: -628.971 where: short stacking energy: -301.406 Base-Backbone interact. energy: -0.940 local terms energy: -311.295287 where: bonds (distance) C4'-P energy: -51.925 bonds (distance) P-C4' energy: -61.078 flat angles C4'-P-C4' energy: -74.278 flat angles P-C4'-P energy: -50.402 tors. eta vs tors. theta energy: -73.612 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: 245 Temperature: 1.100000 Total energy: -859.869774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.869774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.869774 (E_RNA) where: Base-Base interactions energy: -555.083 where: short stacking energy: -243.398 Base-Backbone interact. energy: -2.745 local terms energy: -302.041752 where: bonds (distance) C4'-P energy: -74.486 bonds (distance) P-C4' energy: -58.654 flat angles C4'-P-C4' energy: -70.860 flat angles P-C4'-P energy: -38.793 tors. eta vs tors. theta energy: -59.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -750.026510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.026510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.026510 (E_RNA) where: Base-Base interactions energy: -477.682 where: short stacking energy: -222.136 Base-Backbone interact. energy: -2.193 local terms energy: -270.151879 where: bonds (distance) C4'-P energy: -62.183 bonds (distance) P-C4' energy: -71.229 flat angles C4'-P-C4' energy: -54.660 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -41.353 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: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -651.639860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.639860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.639860 (E_RNA) where: Base-Base interactions energy: -380.072 where: short stacking energy: -197.866 Base-Backbone interact. energy: -0.384 local terms energy: -271.184784 where: bonds (distance) C4'-P energy: -64.969 bonds (distance) P-C4' energy: -67.904 flat angles C4'-P-C4' energy: -64.892 flat angles P-C4'-P energy: -28.343 tors. eta vs tors. theta energy: -45.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -599.416680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.416680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.416680 (E_RNA) where: Base-Base interactions energy: -351.335 where: short stacking energy: -166.412 Base-Backbone interact. energy: -0.525 local terms energy: -247.556906 where: bonds (distance) C4'-P energy: -57.852 bonds (distance) P-C4' energy: -63.264 flat angles C4'-P-C4' energy: -49.365 flat angles P-C4'-P energy: -51.769 tors. eta vs tors. theta energy: -25.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -434.186826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.186826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.186826 (E_RNA) where: Base-Base interactions energy: -210.014 where: short stacking energy: -113.333 Base-Backbone interact. energy: 0.348 local terms energy: -224.521607 where: bonds (distance) C4'-P energy: -60.895 bonds (distance) P-C4' energy: -62.617 flat angles C4'-P-C4' energy: -57.345 flat angles P-C4'-P energy: -34.322 tors. eta vs tors. theta energy: -9.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -320.823402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.823402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.823402 (E_RNA) where: Base-Base interactions energy: -147.276 where: short stacking energy: -87.746 Base-Backbone interact. energy: 6.175 local terms energy: -179.722756 where: bonds (distance) C4'-P energy: -49.094 bonds (distance) P-C4' energy: -64.947 flat angles C4'-P-C4' energy: -49.470 flat angles P-C4'-P energy: -33.851 tors. eta vs tors. theta energy: 17.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1168.934057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.934057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.934057 (E_RNA) where: Base-Base interactions energy: -785.836 where: short stacking energy: -357.335 Base-Backbone interact. energy: -2.181 local terms energy: -380.917377 where: bonds (distance) C4'-P energy: -64.758 bonds (distance) P-C4' energy: -75.459 flat angles C4'-P-C4' energy: -74.812 flat angles P-C4'-P energy: -56.325 tors. eta vs tors. theta energy: -109.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1093.055844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.055844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.055844 (E_RNA) where: Base-Base interactions energy: -732.360 where: short stacking energy: -339.704 Base-Backbone interact. energy: 0.600 local terms energy: -361.296058 where: bonds (distance) C4'-P energy: -72.196 bonds (distance) P-C4' energy: -64.443 flat angles C4'-P-C4' energy: -78.449 flat angles P-C4'-P energy: -53.150 tors. eta vs tors. theta energy: -93.057 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: 3, replica: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1010.799261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.799261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.799261 (E_RNA) where: Base-Base interactions energy: -647.384 where: short stacking energy: -316.309 Base-Backbone interact. energy: -0.265 local terms energy: -363.150500 where: bonds (distance) C4'-P energy: -69.589 bonds (distance) P-C4' energy: -79.158 flat angles C4'-P-C4' energy: -73.552 flat angles P-C4'-P energy: -61.118 tors. eta vs tors. theta energy: -79.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -951.425788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.425788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.425788 (E_RNA) where: Base-Base interactions energy: -630.993 where: short stacking energy: -294.855 Base-Backbone interact. energy: 1.034 local terms energy: -321.466694 where: bonds (distance) C4'-P energy: -64.859 bonds (distance) P-C4' energy: -68.879 flat angles C4'-P-C4' energy: -71.873 flat angles P-C4'-P energy: -44.822 tors. eta vs tors. theta energy: -71.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -867.336156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.336156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.336156 (E_RNA) where: Base-Base interactions energy: -582.009 where: short stacking energy: -274.129 Base-Backbone interact. energy: 1.326 local terms energy: -286.653212 where: bonds (distance) C4'-P energy: -56.215 bonds (distance) P-C4' energy: -61.051 flat angles C4'-P-C4' energy: -69.001 flat angles P-C4'-P energy: -36.763 tors. eta vs tors. theta energy: -63.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -745.130461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.130461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.130461 (E_RNA) where: Base-Base interactions energy: -473.808 where: short stacking energy: -233.300 Base-Backbone interact. energy: -0.807 local terms energy: -270.515719 where: bonds (distance) C4'-P energy: -45.831 bonds (distance) P-C4' energy: -67.445 flat angles C4'-P-C4' energy: -70.981 flat angles P-C4'-P energy: -36.467 tors. eta vs tors. theta energy: -49.791 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: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -634.661761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.661761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.661761 (E_RNA) where: Base-Base interactions energy: -390.200 where: short stacking energy: -199.769 Base-Backbone interact. energy: 0.144 local terms energy: -244.605709 where: bonds (distance) C4'-P energy: -59.013 bonds (distance) P-C4' energy: -62.265 flat angles C4'-P-C4' energy: -65.524 flat angles P-C4'-P energy: -25.051 tors. eta vs tors. theta energy: -32.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -633.969927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.969927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.969927 (E_RNA) where: Base-Base interactions energy: -364.948 where: short stacking energy: -185.827 Base-Backbone interact. energy: -2.631 local terms energy: -266.390823 where: bonds (distance) C4'-P energy: -69.832 bonds (distance) P-C4' energy: -48.864 flat angles C4'-P-C4' energy: -58.423 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: -42.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -453.498411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.498411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.498411 (E_RNA) where: Base-Base interactions energy: -242.119 where: short stacking energy: -131.425 Base-Backbone interact. energy: -0.522 local terms energy: -210.858086 where: bonds (distance) C4'-P energy: -47.407 bonds (distance) P-C4' energy: -62.159 flat angles C4'-P-C4' energy: -57.061 flat angles P-C4'-P energy: -36.254 tors. eta vs tors. theta energy: -7.977 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: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -285.805814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.805814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.805814 (E_RNA) where: Base-Base interactions energy: -88.356 where: short stacking energy: -67.371 Base-Backbone interact. energy: 2.098 local terms energy: -199.547401 where: bonds (distance) C4'-P energy: -58.853 bonds (distance) P-C4' energy: -54.123 flat angles C4'-P-C4' energy: -59.699 flat angles P-C4'-P energy: -39.729 tors. eta vs tors. theta energy: 12.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1181.113087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.113087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.113087 (E_RNA) where: Base-Base interactions energy: -805.237 where: short stacking energy: -379.389 Base-Backbone interact. energy: -0.496 local terms energy: -375.380161 where: bonds (distance) C4'-P energy: -65.966 bonds (distance) P-C4' energy: -67.128 flat angles C4'-P-C4' energy: -83.300 flat angles P-C4'-P energy: -56.485 tors. eta vs tors. theta energy: -102.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1027.296053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.296053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.296053 (E_RNA) where: Base-Base interactions energy: -688.948 where: short stacking energy: -331.082 Base-Backbone interact. energy: -2.060 local terms energy: -336.287825 where: bonds (distance) C4'-P energy: -65.341 bonds (distance) P-C4' energy: -65.574 flat angles C4'-P-C4' energy: -81.522 flat angles P-C4'-P energy: -37.905 tors. eta vs tors. theta energy: -85.946 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: 3, replica: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1053.936957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.936957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.936957 (E_RNA) where: Base-Base interactions energy: -702.134 where: short stacking energy: -314.512 Base-Backbone interact. energy: -1.997 local terms energy: -349.806354 where: bonds (distance) C4'-P energy: -70.871 bonds (distance) P-C4' energy: -68.566 flat angles C4'-P-C4' energy: -78.169 flat angles P-C4'-P energy: -48.147 tors. eta vs tors. theta energy: -84.053 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: 4, replica: 5 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -917.184734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.184734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.184734 (E_RNA) where: Base-Base interactions energy: -596.319 where: short stacking energy: -273.683 Base-Backbone interact. energy: -0.451 local terms energy: -320.415202 where: bonds (distance) C4'-P energy: -61.576 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -73.640 flat angles P-C4'-P energy: -48.742 tors. eta vs tors. theta energy: -74.353 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: 5, replica: 9 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -835.238131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.238131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.238131 (E_RNA) where: Base-Base interactions energy: -539.509 where: short stacking energy: -218.156 Base-Backbone interact. energy: 0.864 local terms energy: -296.593195 where: bonds (distance) C4'-P energy: -59.480 bonds (distance) P-C4' energy: -74.845 flat angles C4'-P-C4' energy: -64.371 flat angles P-C4'-P energy: -55.996 tors. eta vs tors. theta energy: -41.901 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: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -752.862641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.862641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.862641 (E_RNA) where: Base-Base interactions energy: -479.774 where: short stacking energy: -215.469 Base-Backbone interact. energy: -1.303 local terms energy: -271.785792 where: bonds (distance) C4'-P energy: -61.693 bonds (distance) P-C4' energy: -68.348 flat angles C4'-P-C4' energy: -54.047 flat angles P-C4'-P energy: -35.157 tors. eta vs tors. theta energy: -52.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -616.302082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.302082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.302082 (E_RNA) where: Base-Base interactions energy: -390.534 where: short stacking energy: -185.798 Base-Backbone interact. energy: -0.167 local terms energy: -225.601399 where: bonds (distance) C4'-P energy: -36.472 bonds (distance) P-C4' energy: -63.774 flat angles C4'-P-C4' energy: -63.666 flat angles P-C4'-P energy: -30.099 tors. eta vs tors. theta energy: -31.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -637.168855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.168855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.168855 (E_RNA) where: Base-Base interactions energy: -377.420 where: short stacking energy: -194.885 Base-Backbone interact. energy: 3.608 local terms energy: -263.356329 where: bonds (distance) C4'-P energy: -54.495 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -63.104 flat angles P-C4'-P energy: -46.782 tors. eta vs tors. theta energy: -32.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -449.910976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.910976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.910976 (E_RNA) where: Base-Base interactions energy: -253.809 where: short stacking energy: -140.652 Base-Backbone interact. energy: 3.192 local terms energy: -199.293678 where: bonds (distance) C4'-P energy: -57.550 bonds (distance) P-C4' energy: -58.987 flat angles C4'-P-C4' energy: -32.333 flat angles P-C4'-P energy: -35.252 tors. eta vs tors. theta energy: -15.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -273.567947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.567947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.567947 (E_RNA) where: Base-Base interactions energy: -85.022 where: short stacking energy: -80.382 Base-Backbone interact. energy: -1.944 local terms energy: -186.601688 where: bonds (distance) C4'-P energy: -56.736 bonds (distance) P-C4' energy: -60.869 flat angles C4'-P-C4' energy: -48.756 flat angles P-C4'-P energy: -25.195 tors. eta vs tors. theta energy: 4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1165.375803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.375803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.375803 (E_RNA) where: Base-Base interactions energy: -802.336 where: short stacking energy: -378.660 Base-Backbone interact. energy: -0.448 local terms energy: -362.591143 where: bonds (distance) C4'-P energy: -70.203 bonds (distance) P-C4' energy: -61.908 flat angles C4'-P-C4' energy: -76.790 flat angles P-C4'-P energy: -47.410 tors. eta vs tors. theta energy: -106.280 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: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -987.492644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.492644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.492644 (E_RNA) where: Base-Base interactions energy: -663.411 where: short stacking energy: -295.904 Base-Backbone interact. energy: -1.630 local terms energy: -322.451615 where: bonds (distance) C4'-P energy: -63.276 bonds (distance) P-C4' energy: -69.289 flat angles C4'-P-C4' energy: -68.049 flat angles P-C4'-P energy: -42.667 tors. eta vs tors. theta energy: -79.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1041.110369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.110369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.110369 (E_RNA) where: Base-Base interactions energy: -696.394 where: short stacking energy: -317.410 Base-Backbone interact. energy: -2.222 local terms energy: -342.494102 where: bonds (distance) C4'-P energy: -62.231 bonds (distance) P-C4' energy: -66.319 flat angles C4'-P-C4' energy: -75.523 flat angles P-C4'-P energy: -53.972 tors. eta vs tors. theta energy: -84.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -919.936876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.936876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.936876 (E_RNA) where: Base-Base interactions energy: -603.976 where: short stacking energy: -295.770 Base-Backbone interact. energy: -0.111 local terms energy: -315.850015 where: bonds (distance) C4'-P energy: -66.072 bonds (distance) P-C4' energy: -63.625 flat angles C4'-P-C4' energy: -65.529 flat angles P-C4'-P energy: -41.895 tors. eta vs tors. theta energy: -78.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -855.111044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.111044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.111044 (E_RNA) where: Base-Base interactions energy: -550.066 where: short stacking energy: -241.360 Base-Backbone interact. energy: 0.406 local terms energy: -305.450538 where: bonds (distance) C4'-P energy: -67.867 bonds (distance) P-C4' energy: -63.110 flat angles C4'-P-C4' energy: -66.272 flat angles P-C4'-P energy: -44.179 tors. eta vs tors. theta energy: -64.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -757.225030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.225030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.225030 (E_RNA) where: Base-Base interactions energy: -483.212 where: short stacking energy: -238.848 Base-Backbone interact. energy: 4.847 local terms energy: -278.859690 where: bonds (distance) C4'-P energy: -51.916 bonds (distance) P-C4' energy: -65.320 flat angles C4'-P-C4' energy: -61.969 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -56.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -672.598785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.598785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.598785 (E_RNA) where: Base-Base interactions energy: -416.836 where: short stacking energy: -211.707 Base-Backbone interact. energy: -1.296 local terms energy: -254.466576 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -47.447 flat angles C4'-P-C4' energy: -63.073 flat angles P-C4'-P energy: -31.819 tors. eta vs tors. theta energy: -54.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -583.397579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.397579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.397579 (E_RNA) where: Base-Base interactions energy: -338.304 where: short stacking energy: -158.361 Base-Backbone interact. energy: -1.222 local terms energy: -243.871812 where: bonds (distance) C4'-P energy: -67.551 bonds (distance) P-C4' energy: -58.705 flat angles C4'-P-C4' energy: -55.661 flat angles P-C4'-P energy: -37.676 tors. eta vs tors. theta energy: -24.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -444.101408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.101408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.101408 (E_RNA) where: Base-Base interactions energy: -231.005 where: short stacking energy: -130.899 Base-Backbone interact. energy: 1.024 local terms energy: -214.120479 where: bonds (distance) C4'-P energy: -60.545 bonds (distance) P-C4' energy: -52.249 flat angles C4'-P-C4' energy: -68.060 flat angles P-C4'-P energy: -24.324 tors. eta vs tors. theta energy: -8.942 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: 248 Temperature: 1.350000 Total energy: -297.213238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.213238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.213238 (E_RNA) where: Base-Base interactions energy: -93.018 where: short stacking energy: -77.361 Base-Backbone interact. energy: 0.529 local terms energy: -204.724331 where: bonds (distance) C4'-P energy: -54.599 bonds (distance) P-C4' energy: -54.905 flat angles C4'-P-C4' energy: -57.536 flat angles P-C4'-P energy: -40.189 tors. eta vs tors. theta energy: 2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1184.859492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.859492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.859492 (E_RNA) where: Base-Base interactions energy: -808.921 where: short stacking energy: -378.301 Base-Backbone interact. energy: -0.850 local terms energy: -375.088056 where: bonds (distance) C4'-P energy: -65.962 bonds (distance) P-C4' energy: -75.197 flat angles C4'-P-C4' energy: -79.333 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -108.273 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: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1061.427143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.427143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.427143 (E_RNA) where: Base-Base interactions energy: -707.573 where: short stacking energy: -336.525 Base-Backbone interact. energy: -2.091 local terms energy: -351.762884 where: bonds (distance) C4'-P energy: -73.499 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -77.374 flat angles P-C4'-P energy: -53.067 tors. eta vs tors. theta energy: -86.106 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: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -985.390426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.390426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.390426 (E_RNA) where: Base-Base interactions energy: -648.740 where: short stacking energy: -298.574 Base-Backbone interact. energy: -1.247 local terms energy: -335.403296 where: bonds (distance) C4'-P energy: -62.686 bonds (distance) P-C4' energy: -71.961 flat angles C4'-P-C4' energy: -75.512 flat angles P-C4'-P energy: -51.573 tors. eta vs tors. theta energy: -73.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -940.047958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.047958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.047958 (E_RNA) where: Base-Base interactions energy: -607.874 where: short stacking energy: -284.397 Base-Backbone interact. energy: -2.096 local terms energy: -330.078206 where: bonds (distance) C4'-P energy: -56.528 bonds (distance) P-C4' energy: -76.205 flat angles C4'-P-C4' energy: -76.021 flat angles P-C4'-P energy: -43.426 tors. eta vs tors. theta energy: -77.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -874.879243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.879243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.879243 (E_RNA) where: Base-Base interactions energy: -558.217 where: short stacking energy: -252.258 Base-Backbone interact. energy: -0.562 local terms energy: -316.100159 where: bonds (distance) C4'-P energy: -60.310 bonds (distance) P-C4' energy: -63.070 flat angles C4'-P-C4' energy: -71.108 flat angles P-C4'-P energy: -50.319 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: 249 Temperature: 1.150000 Total energy: -732.800526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.800526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.800526 (E_RNA) where: Base-Base interactions energy: -437.796 where: short stacking energy: -207.090 Base-Backbone interact. energy: 0.086 local terms energy: -295.089853 where: bonds (distance) C4'-P energy: -68.068 bonds (distance) P-C4' energy: -67.435 flat angles C4'-P-C4' energy: -63.329 flat angles P-C4'-P energy: -45.086 tors. eta vs tors. theta energy: -51.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -723.369786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.369786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.369786 (E_RNA) where: Base-Base interactions energy: -456.786 where: short stacking energy: -216.487 Base-Backbone interact. energy: 1.606 local terms energy: -268.190003 where: bonds (distance) C4'-P energy: -51.336 bonds (distance) P-C4' energy: -49.704 flat angles C4'-P-C4' energy: -64.898 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: -58.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -611.150228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.150228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.150228 (E_RNA) where: Base-Base interactions energy: -353.295 where: short stacking energy: -193.254 Base-Backbone interact. energy: -0.608 local terms energy: -257.246918 where: bonds (distance) C4'-P energy: -55.143 bonds (distance) P-C4' energy: -45.925 flat angles C4'-P-C4' energy: -60.341 flat angles P-C4'-P energy: -47.293 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: 9, replica: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -458.705728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.705728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.705728 (E_RNA) where: Base-Base interactions energy: -243.187 where: short stacking energy: -148.768 Base-Backbone interact. energy: 0.703 local terms energy: -216.220903 where: bonds (distance) C4'-P energy: -56.816 bonds (distance) P-C4' energy: -55.835 flat angles C4'-P-C4' energy: -47.035 flat angles P-C4'-P energy: -30.163 tors. eta vs tors. theta energy: -26.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -303.105375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.105375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.105375 (E_RNA) where: Base-Base interactions energy: -147.532 where: short stacking energy: -118.898 Base-Backbone interact. energy: 1.114 local terms energy: -156.687690 where: bonds (distance) C4'-P energy: -55.303 bonds (distance) P-C4' energy: -40.329 flat angles C4'-P-C4' energy: -41.169 flat angles P-C4'-P energy: -18.850 tors. eta vs tors. theta energy: -1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1163.193710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.193710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.193710 (E_RNA) where: Base-Base interactions energy: -779.232 where: short stacking energy: -375.448 Base-Backbone interact. energy: -0.575 local terms energy: -383.386569 where: bonds (distance) C4'-P energy: -70.540 bonds (distance) P-C4' energy: -71.373 flat angles C4'-P-C4' energy: -84.256 flat angles P-C4'-P energy: -51.587 tors. eta vs tors. theta energy: -105.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1074.356078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.356078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.356078 (E_RNA) where: Base-Base interactions energy: -717.726 where: short stacking energy: -337.597 Base-Backbone interact. energy: -2.132 local terms energy: -354.497935 where: bonds (distance) C4'-P energy: -68.467 bonds (distance) P-C4' energy: -65.691 flat angles C4'-P-C4' energy: -76.289 flat angles P-C4'-P energy: -47.811 tors. eta vs tors. theta energy: -96.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -986.696371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.696371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.696371 (E_RNA) where: Base-Base interactions energy: -651.860 where: short stacking energy: -292.140 Base-Backbone interact. energy: -2.081 local terms energy: -332.755546 where: bonds (distance) C4'-P energy: -71.695 bonds (distance) P-C4' energy: -76.510 flat angles C4'-P-C4' energy: -61.300 flat angles P-C4'-P energy: -51.169 tors. eta vs tors. theta energy: -72.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -935.372656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.372656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.372656 (E_RNA) where: Base-Base interactions energy: -599.967 where: short stacking energy: -287.909 Base-Backbone interact. energy: -1.269 local terms energy: -334.136235 where: bonds (distance) C4'-P energy: -67.863 bonds (distance) P-C4' energy: -65.532 flat angles C4'-P-C4' energy: -82.063 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -72.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -867.956986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.956986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.956986 (E_RNA) where: Base-Base interactions energy: -559.103 where: short stacking energy: -246.059 Base-Backbone interact. energy: -0.110 local terms energy: -308.743979 where: bonds (distance) C4'-P energy: -63.724 bonds (distance) P-C4' energy: -65.823 flat angles C4'-P-C4' energy: -74.551 flat angles P-C4'-P energy: -47.194 tors. eta vs tors. theta energy: -57.452 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: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -729.200614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.200614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.200614 (E_RNA) where: Base-Base interactions energy: -448.598 where: short stacking energy: -211.355 Base-Backbone interact. energy: -2.289 local terms energy: -278.313253 where: bonds (distance) C4'-P energy: -60.801 bonds (distance) P-C4' energy: -65.090 flat angles C4'-P-C4' energy: -65.191 flat angles P-C4'-P energy: -34.625 tors. eta vs tors. theta energy: -52.606 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: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -715.597866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.597866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.597866 (E_RNA) where: Base-Base interactions energy: -446.136 where: short stacking energy: -207.289 Base-Backbone interact. energy: -1.311 local terms energy: -268.151044 where: bonds (distance) C4'-P energy: -48.879 bonds (distance) P-C4' energy: -63.442 flat angles C4'-P-C4' energy: -69.673 flat angles P-C4'-P energy: -39.613 tors. eta vs tors. theta energy: -46.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -532.737933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.737933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.737933 (E_RNA) where: Base-Base interactions energy: -314.868 where: short stacking energy: -169.665 Base-Backbone interact. energy: -2.834 local terms energy: -215.036042 where: bonds (distance) C4'-P energy: -53.191 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -61.595 flat angles P-C4'-P energy: -20.831 tors. eta vs tors. theta energy: -19.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -440.557622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.557622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.557622 (E_RNA) where: Base-Base interactions energy: -235.820 where: short stacking energy: -151.219 Base-Backbone interact. energy: 0.013 local terms energy: -204.751254 where: bonds (distance) C4'-P energy: -50.033 bonds (distance) P-C4' energy: -61.940 flat angles C4'-P-C4' energy: -48.457 flat angles P-C4'-P energy: -21.037 tors. eta vs tors. theta energy: -23.285 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: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -279.181420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.181420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.181420 (E_RNA) where: Base-Base interactions energy: -91.198 where: short stacking energy: -67.763 Base-Backbone interact. energy: -2.050 local terms energy: -185.932562 where: bonds (distance) C4'-P energy: -55.961 bonds (distance) P-C4' energy: -56.400 flat angles C4'-P-C4' energy: -43.485 flat angles P-C4'-P energy: -40.005 tors. eta vs tors. theta energy: 9.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1141.796879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.796879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.796879 (E_RNA) where: Base-Base interactions energy: -767.351 where: short stacking energy: -358.760 Base-Backbone interact. energy: -0.593 local terms energy: -373.852520 where: bonds (distance) C4'-P energy: -72.938 bonds (distance) P-C4' energy: -71.760 flat angles C4'-P-C4' energy: -76.598 flat angles P-C4'-P energy: -51.179 tors. eta vs tors. theta energy: -101.377 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: 2, replica: 4 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1090.548338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.548338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.548338 (E_RNA) where: Base-Base interactions energy: -714.292 where: short stacking energy: -332.508 Base-Backbone interact. energy: -0.728 local terms energy: -375.528226 where: bonds (distance) C4'-P energy: -72.018 bonds (distance) P-C4' energy: -72.339 flat angles C4'-P-C4' energy: -82.066 flat angles P-C4'-P energy: -52.262 tors. eta vs tors. theta energy: -96.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -999.989582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.989582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.989582 (E_RNA) where: Base-Base interactions energy: -670.070 where: short stacking energy: -298.368 Base-Backbone interact. energy: 0.491 local terms energy: -330.410267 where: bonds (distance) C4'-P energy: -51.957 bonds (distance) P-C4' energy: -72.868 flat angles C4'-P-C4' energy: -68.305 flat angles P-C4'-P energy: -52.036 tors. eta vs tors. theta energy: -85.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -956.415232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.415232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.415232 (E_RNA) where: Base-Base interactions energy: -628.720 where: short stacking energy: -286.951 Base-Backbone interact. energy: -1.787 local terms energy: -325.908867 where: bonds (distance) C4'-P energy: -54.255 bonds (distance) P-C4' energy: -76.957 flat angles C4'-P-C4' energy: -67.791 flat angles P-C4'-P energy: -52.904 tors. eta vs tors. theta energy: -74.002 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: 251 Temperature: 1.100000 Total energy: -833.767527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.767527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.767527 (E_RNA) where: Base-Base interactions energy: -526.973 where: short stacking energy: -232.964 Base-Backbone interact. energy: 0.028 local terms energy: -306.822891 where: bonds (distance) C4'-P energy: -59.430 bonds (distance) P-C4' energy: -65.930 flat angles C4'-P-C4' energy: -77.300 flat angles P-C4'-P energy: -46.657 tors. eta vs tors. theta energy: -57.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -718.955459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.955459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.955459 (E_RNA) where: Base-Base interactions energy: -450.752 where: short stacking energy: -233.596 Base-Backbone interact. energy: 1.006 local terms energy: -269.209774 where: bonds (distance) C4'-P energy: -56.525 bonds (distance) P-C4' energy: -70.220 flat angles C4'-P-C4' energy: -58.069 flat angles P-C4'-P energy: -34.307 tors. eta vs tors. theta energy: -50.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -701.692397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.692397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.692397 (E_RNA) where: Base-Base interactions energy: -431.593 where: short stacking energy: -208.226 Base-Backbone interact. energy: -0.948 local terms energy: -269.150847 where: bonds (distance) C4'-P energy: -52.714 bonds (distance) P-C4' energy: -65.675 flat angles C4'-P-C4' energy: -56.398 flat angles P-C4'-P energy: -39.920 tors. eta vs tors. theta energy: -54.444 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: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -500.820670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.820670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.820670 (E_RNA) where: Base-Base interactions energy: -294.002 where: short stacking energy: -151.210 Base-Backbone interact. energy: -1.211 local terms energy: -205.608097 where: bonds (distance) C4'-P energy: -58.057 bonds (distance) P-C4' energy: -55.006 flat angles C4'-P-C4' energy: -47.829 flat angles P-C4'-P energy: -32.139 tors. eta vs tors. theta energy: -12.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -467.965883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.965883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.965883 (E_RNA) where: Base-Base interactions energy: -247.808 where: short stacking energy: -133.907 Base-Backbone interact. energy: 1.662 local terms energy: -221.819657 where: bonds (distance) C4'-P energy: -60.295 bonds (distance) P-C4' energy: -63.513 flat angles C4'-P-C4' energy: -53.264 flat angles P-C4'-P energy: -34.059 tors. eta vs tors. theta energy: -10.689 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: 251 Temperature: 1.350000 Total energy: -283.915023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.915023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.915023 (E_RNA) where: Base-Base interactions energy: -98.143 where: short stacking energy: -89.302 Base-Backbone interact. energy: -0.350 local terms energy: -185.421726 where: bonds (distance) C4'-P energy: -66.523 bonds (distance) P-C4' energy: -65.419 flat angles C4'-P-C4' energy: -38.038 flat angles P-C4'-P energy: -19.671 tors. eta vs tors. theta energy: 4.229 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: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1167.638815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.638815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.638815 (E_RNA) where: Base-Base interactions energy: -778.221 where: short stacking energy: -369.436 Base-Backbone interact. energy: -1.002 local terms energy: -388.416410 where: bonds (distance) C4'-P energy: -67.545 bonds (distance) P-C4' energy: -75.385 flat angles C4'-P-C4' energy: -83.873 flat angles P-C4'-P energy: -53.128 tors. eta vs tors. theta energy: -108.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1072.415132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.415132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.415132 (E_RNA) where: Base-Base interactions energy: -701.501 where: short stacking energy: -326.070 Base-Backbone interact. energy: -0.858 local terms energy: -370.056798 where: bonds (distance) C4'-P energy: -74.933 bonds (distance) P-C4' energy: -73.574 flat angles C4'-P-C4' energy: -71.294 flat angles P-C4'-P energy: -59.436 tors. eta vs tors. theta energy: -90.821 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: -980.445577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.445577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.445577 (E_RNA) where: Base-Base interactions energy: -656.604 where: short stacking energy: -306.156 Base-Backbone interact. energy: -0.567 local terms energy: -323.274708 where: bonds (distance) C4'-P energy: -61.019 bonds (distance) P-C4' energy: -66.771 flat angles C4'-P-C4' energy: -71.627 flat angles P-C4'-P energy: -45.183 tors. eta vs tors. theta energy: -78.674 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: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -950.579007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.579007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.579007 (E_RNA) where: Base-Base interactions energy: -624.807 where: short stacking energy: -286.219 Base-Backbone interact. energy: -0.483 local terms energy: -325.289078 where: bonds (distance) C4'-P energy: -55.491 bonds (distance) P-C4' energy: -70.879 flat angles C4'-P-C4' energy: -70.975 flat angles P-C4'-P energy: -48.951 tors. eta vs tors. theta energy: -78.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -851.245664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.245664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.245664 (E_RNA) where: Base-Base interactions energy: -548.274 where: short stacking energy: -260.124 Base-Backbone interact. energy: -0.612 local terms energy: -302.359946 where: bonds (distance) C4'-P energy: -73.081 bonds (distance) P-C4' energy: -58.629 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -35.090 tors. eta vs tors. theta energy: -60.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -692.494824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.494824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.494824 (E_RNA) where: Base-Base interactions energy: -427.560 where: short stacking energy: -214.072 Base-Backbone interact. energy: 0.752 local terms energy: -265.686660 where: bonds (distance) C4'-P energy: -64.801 bonds (distance) P-C4' energy: -63.312 flat angles C4'-P-C4' energy: -53.123 flat angles P-C4'-P energy: -38.443 tors. eta vs tors. theta energy: -46.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -715.050714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.050714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.050714 (E_RNA) where: Base-Base interactions energy: -428.247 where: short stacking energy: -234.955 Base-Backbone interact. energy: -1.407 local terms energy: -285.396768 where: bonds (distance) C4'-P energy: -53.424 bonds (distance) P-C4' energy: -65.508 flat angles C4'-P-C4' energy: -64.967 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -62.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -485.896070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.896070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.896070 (E_RNA) where: Base-Base interactions energy: -249.888 where: short stacking energy: -130.837 Base-Backbone interact. energy: 1.817 local terms energy: -237.824735 where: bonds (distance) C4'-P energy: -60.920 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -68.035 flat angles P-C4'-P energy: -41.582 tors. eta vs tors. theta energy: -8.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -434.295050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.295050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.295050 (E_RNA) where: Base-Base interactions energy: -229.348 where: short stacking energy: -132.136 Base-Backbone interact. energy: -0.232 local terms energy: -204.715091 where: bonds (distance) C4'-P energy: -58.842 bonds (distance) P-C4' energy: -66.289 flat angles C4'-P-C4' energy: -34.397 flat angles P-C4'-P energy: -32.139 tors. eta vs tors. theta energy: -13.048 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: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -278.870432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.870432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.870432 (E_RNA) where: Base-Base interactions energy: -104.516 where: short stacking energy: -89.923 Base-Backbone interact. energy: -1.204 local terms energy: -173.150698 where: bonds (distance) C4'-P energy: -53.882 bonds (distance) P-C4' energy: -54.790 flat angles C4'-P-C4' energy: -45.205 flat angles P-C4'-P energy: -21.490 tors. eta vs tors. theta energy: 2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1183.500045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.500045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.500045 (E_RNA) where: Base-Base interactions energy: -780.338 where: short stacking energy: -380.106 Base-Backbone interact. energy: -0.834 local terms energy: -402.327196 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -73.896 flat angles C4'-P-C4' energy: -88.892 flat angles P-C4'-P energy: -54.819 tors. eta vs tors. theta energy: -114.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1068.643687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.643687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.643687 (E_RNA) where: Base-Base interactions energy: -712.967 where: short stacking energy: -320.272 Base-Backbone interact. energy: -0.278 local terms energy: -355.397834 where: bonds (distance) C4'-P energy: -63.212 bonds (distance) P-C4' energy: -70.783 flat angles C4'-P-C4' energy: -81.916 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -90.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -952.194079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.194079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.194079 (E_RNA) where: Base-Base interactions energy: -637.629 where: short stacking energy: -297.943 Base-Backbone interact. energy: 1.006 local terms energy: -315.571361 where: bonds (distance) C4'-P energy: -61.878 bonds (distance) P-C4' energy: -69.432 flat angles C4'-P-C4' energy: -73.556 flat angles P-C4'-P energy: -44.414 tors. eta vs tors. theta energy: -66.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -967.836571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.836571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.836571 (E_RNA) where: Base-Base interactions energy: -627.891 where: short stacking energy: -303.535 Base-Backbone interact. energy: -1.263 local terms energy: -338.682531 where: bonds (distance) C4'-P energy: -55.885 bonds (distance) P-C4' energy: -69.366 flat angles C4'-P-C4' energy: -80.815 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -81.306 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: 9 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -854.034432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.034432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.034432 (E_RNA) where: Base-Base interactions energy: -551.456 where: short stacking energy: -250.402 Base-Backbone interact. energy: -3.036 local terms energy: -299.542012 where: bonds (distance) C4'-P energy: -65.307 bonds (distance) P-C4' energy: -64.319 flat angles C4'-P-C4' energy: -69.629 flat angles P-C4'-P energy: -39.354 tors. eta vs tors. theta energy: -60.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -708.232935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.232935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.232935 (E_RNA) where: Base-Base interactions energy: -455.325 where: short stacking energy: -214.649 Base-Backbone interact. energy: -1.750 local terms energy: -251.158120 where: bonds (distance) C4'-P energy: -61.801 bonds (distance) P-C4' energy: -64.414 flat angles C4'-P-C4' energy: -60.696 flat angles P-C4'-P energy: -25.464 tors. eta vs tors. theta energy: -38.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -717.931479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.931479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.931479 (E_RNA) where: Base-Base interactions energy: -440.078 where: short stacking energy: -227.515 Base-Backbone interact. energy: -1.537 local terms energy: -276.316799 where: bonds (distance) C4'-P energy: -66.092 bonds (distance) P-C4' energy: -68.512 flat angles C4'-P-C4' energy: -66.517 flat angles P-C4'-P energy: -33.662 tors. eta vs tors. theta energy: -41.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -459.202058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.202058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.202058 (E_RNA) where: Base-Base interactions energy: -253.056 where: short stacking energy: -129.058 Base-Backbone interact. energy: 2.347 local terms energy: -208.492916 where: bonds (distance) C4'-P energy: -60.420 bonds (distance) P-C4' energy: -53.903 flat angles C4'-P-C4' energy: -61.682 flat angles P-C4'-P energy: -21.054 tors. eta vs tors. theta energy: -11.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -430.718731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.718731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.718731 (E_RNA) where: Base-Base interactions energy: -197.103 where: short stacking energy: -124.553 Base-Backbone interact. energy: -2.070 local terms energy: -231.545974 where: bonds (distance) C4'-P energy: -61.877 bonds (distance) P-C4' energy: -57.637 flat angles C4'-P-C4' energy: -56.641 flat angles P-C4'-P energy: -44.351 tors. eta vs tors. theta energy: -11.040 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: 253 Temperature: 1.350000 Total energy: -297.291639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.291639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.291639 (E_RNA) where: Base-Base interactions energy: -90.670 where: short stacking energy: -82.682 Base-Backbone interact. energy: 3.187 local terms energy: -209.808631 where: bonds (distance) C4'-P energy: -59.299 bonds (distance) P-C4' energy: -62.115 flat angles C4'-P-C4' energy: -59.873 flat angles P-C4'-P energy: -39.999 tors. eta vs tors. theta energy: 11.477 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: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1171.841495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.841495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.841495 (E_RNA) where: Base-Base interactions energy: -789.573 where: short stacking energy: -379.193 Base-Backbone interact. energy: -0.242 local terms energy: -382.026406 where: bonds (distance) C4'-P energy: -67.076 bonds (distance) P-C4' energy: -71.359 flat angles C4'-P-C4' energy: -79.159 flat angles P-C4'-P energy: -49.205 tors. eta vs tors. theta energy: -115.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1061.317495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.317495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.317495 (E_RNA) where: Base-Base interactions energy: -692.321 where: short stacking energy: -324.920 Base-Backbone interact. energy: -0.815 local terms energy: -368.181830 where: bonds (distance) C4'-P energy: -74.693 bonds (distance) P-C4' energy: -71.257 flat angles C4'-P-C4' energy: -80.550 flat angles P-C4'-P energy: -47.221 tors. eta vs tors. theta energy: -94.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -975.115459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.115459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.115459 (E_RNA) where: Base-Base interactions energy: -651.520 where: short stacking energy: -296.771 Base-Backbone interact. energy: -1.089 local terms energy: -322.507198 where: bonds (distance) C4'-P energy: -66.724 bonds (distance) P-C4' energy: -58.624 flat angles C4'-P-C4' energy: -73.243 flat angles P-C4'-P energy: -43.252 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: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -909.878866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.878866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.878866 (E_RNA) where: Base-Base interactions energy: -593.661 where: short stacking energy: -265.233 Base-Backbone interact. energy: -1.455 local terms energy: -314.762604 where: bonds (distance) C4'-P energy: -64.978 bonds (distance) P-C4' energy: -73.611 flat angles C4'-P-C4' energy: -61.073 flat angles P-C4'-P energy: -46.873 tors. eta vs tors. theta energy: -68.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -864.085430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.085430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.085430 (E_RNA) where: Base-Base interactions energy: -552.802 where: short stacking energy: -236.900 Base-Backbone interact. energy: -1.441 local terms energy: -309.843246 where: bonds (distance) C4'-P energy: -53.823 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -77.262 flat angles P-C4'-P energy: -50.501 tors. eta vs tors. theta energy: -65.484 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: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -706.060522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.060522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.060522 (E_RNA) where: Base-Base interactions energy: -461.403 where: short stacking energy: -215.287 Base-Backbone interact. energy: 1.829 local terms energy: -246.486508 where: bonds (distance) C4'-P energy: -59.439 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -62.777 flat angles P-C4'-P energy: -21.173 tors. eta vs tors. theta energy: -44.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -693.262546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.262546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.262546 (E_RNA) where: Base-Base interactions energy: -419.850 where: short stacking energy: -208.479 Base-Backbone interact. energy: 0.550 local terms energy: -273.962596 where: bonds (distance) C4'-P energy: -49.210 bonds (distance) P-C4' energy: -63.142 flat angles C4'-P-C4' energy: -69.673 flat angles P-C4'-P energy: -40.354 tors. eta vs tors. theta energy: -51.584 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: 254 Temperature: 1.250000 Total energy: -488.782453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.782453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.782453 (E_RNA) where: Base-Base interactions energy: -264.890 where: short stacking energy: -127.652 Base-Backbone interact. energy: 0.987 local terms energy: -224.879372 where: bonds (distance) C4'-P energy: -65.214 bonds (distance) P-C4' energy: -60.352 flat angles C4'-P-C4' energy: -51.929 flat angles P-C4'-P energy: -35.435 tors. eta vs tors. theta energy: -11.949 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: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -414.549367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.549367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.549367 (E_RNA) where: Base-Base interactions energy: -210.286 where: short stacking energy: -119.123 Base-Backbone interact. energy: 0.308 local terms energy: -204.571598 where: bonds (distance) C4'-P energy: -56.791 bonds (distance) P-C4' energy: -53.346 flat angles C4'-P-C4' energy: -54.334 flat angles P-C4'-P energy: -28.894 tors. eta vs tors. theta energy: -11.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -301.532534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.532534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.532534 (E_RNA) where: Base-Base interactions energy: -125.603 where: short stacking energy: -119.651 Base-Backbone interact. energy: 2.601 local terms energy: -178.531426 where: bonds (distance) C4'-P energy: -27.250 bonds (distance) P-C4' energy: -66.301 flat angles C4'-P-C4' energy: -41.528 flat angles P-C4'-P energy: -33.501 tors. eta vs tors. theta energy: -9.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1164.125883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.125883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.125883 (E_RNA) where: Base-Base interactions energy: -785.970 where: short stacking energy: -372.246 Base-Backbone interact. energy: -0.049 local terms energy: -378.106527 where: bonds (distance) C4'-P energy: -75.653 bonds (distance) P-C4' energy: -71.035 flat angles C4'-P-C4' energy: -75.444 flat angles P-C4'-P energy: -53.450 tors. eta vs tors. theta energy: -102.526 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: 4 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1075.198153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.198153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.198153 (E_RNA) where: Base-Base interactions energy: -720.334 where: short stacking energy: -336.152 Base-Backbone interact. energy: -1.310 local terms energy: -353.554634 where: bonds (distance) C4'-P energy: -68.342 bonds (distance) P-C4' energy: -54.130 flat angles C4'-P-C4' energy: -73.547 flat angles P-C4'-P energy: -55.518 tors. eta vs tors. theta energy: -102.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -969.513906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.513906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.513906 (E_RNA) where: Base-Base interactions energy: -640.172 where: short stacking energy: -281.521 Base-Backbone interact. energy: 0.156 local terms energy: -329.498194 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -77.537 flat angles C4'-P-C4' energy: -75.503 flat angles P-C4'-P energy: -44.381 tors. eta vs tors. theta energy: -65.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -929.067798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.067798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.067798 (E_RNA) where: Base-Base interactions energy: -614.026 where: short stacking energy: -285.317 Base-Backbone interact. energy: -0.284 local terms energy: -314.757759 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -64.214 flat angles C4'-P-C4' energy: -74.348 flat angles P-C4'-P energy: -48.891 tors. eta vs tors. theta energy: -71.829 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: 255 Temperature: 1.100000 Total energy: -905.489297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.489297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.489297 (E_RNA) where: Base-Base interactions energy: -601.925 where: short stacking energy: -274.806 Base-Backbone interact. energy: -1.237 local terms energy: -302.327085 where: bonds (distance) C4'-P energy: -59.558 bonds (distance) P-C4' energy: -64.085 flat angles C4'-P-C4' energy: -68.367 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -65.362 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: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -728.127666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.127666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.127666 (E_RNA) where: Base-Base interactions energy: -437.639 where: short stacking energy: -221.179 Base-Backbone interact. energy: -0.548 local terms energy: -289.940128 where: bonds (distance) C4'-P energy: -57.676 bonds (distance) P-C4' energy: -66.201 flat angles C4'-P-C4' energy: -68.908 flat angles P-C4'-P energy: -46.939 tors. eta vs tors. theta energy: -50.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -651.643481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.643481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.643481 (E_RNA) where: Base-Base interactions energy: -403.398 where: short stacking energy: -197.483 Base-Backbone interact. energy: -2.904 local terms energy: -245.341532 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -57.273 flat angles C4'-P-C4' energy: -66.246 flat angles P-C4'-P energy: -19.923 tors. eta vs tors. theta energy: -39.822 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: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -558.153087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.153087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.153087 (E_RNA) where: Base-Base interactions energy: -312.248 where: short stacking energy: -155.754 Base-Backbone interact. energy: -0.940 local terms energy: -244.964658 where: bonds (distance) C4'-P energy: -59.102 bonds (distance) P-C4' energy: -65.214 flat angles C4'-P-C4' energy: -47.863 flat angles P-C4'-P energy: -39.260 tors. eta vs tors. theta energy: -33.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -366.291075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.291075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.291075 (E_RNA) where: Base-Base interactions energy: -159.457 where: short stacking energy: -103.068 Base-Backbone interact. energy: -1.153 local terms energy: -205.681165 where: bonds (distance) C4'-P energy: -58.883 bonds (distance) P-C4' energy: -65.246 flat angles C4'-P-C4' energy: -55.655 flat angles P-C4'-P energy: -24.780 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -282.614439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.614439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.614439 (E_RNA) where: Base-Base interactions energy: -94.549 where: short stacking energy: -94.549 Base-Backbone interact. energy: -1.554 local terms energy: -186.511268 where: bonds (distance) C4'-P energy: -55.760 bonds (distance) P-C4' energy: -59.071 flat angles C4'-P-C4' energy: -40.863 flat angles P-C4'-P energy: -25.450 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: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1159.813670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.813670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.813670 (E_RNA) where: Base-Base interactions energy: -777.111 where: short stacking energy: -362.717 Base-Backbone interact. energy: -0.339 local terms energy: -382.364036 where: bonds (distance) C4'-P energy: -61.149 bonds (distance) P-C4' energy: -78.821 flat angles C4'-P-C4' energy: -76.173 flat angles P-C4'-P energy: -57.698 tors. eta vs tors. theta energy: -108.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1071.075734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.075734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.075734 (E_RNA) where: Base-Base interactions energy: -715.429 where: short stacking energy: -328.895 Base-Backbone interact. energy: -1.605 local terms energy: -354.041985 where: bonds (distance) C4'-P energy: -68.937 bonds (distance) P-C4' energy: -62.598 flat angles C4'-P-C4' energy: -76.214 flat angles P-C4'-P energy: -57.002 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: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -967.821459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.821459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.821459 (E_RNA) where: Base-Base interactions energy: -636.487 where: short stacking energy: -301.019 Base-Backbone interact. energy: 1.015 local terms energy: -332.349979 where: bonds (distance) C4'-P energy: -71.977 bonds (distance) P-C4' energy: -71.749 flat angles C4'-P-C4' energy: -74.254 flat angles P-C4'-P energy: -37.353 tors. eta vs tors. theta energy: -77.016 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: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -919.000068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.000068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.000068 (E_RNA) where: Base-Base interactions energy: -593.889 where: short stacking energy: -298.381 Base-Backbone interact. energy: -0.413 local terms energy: -324.697566 where: bonds (distance) C4'-P energy: -68.483 bonds (distance) P-C4' energy: -75.351 flat angles C4'-P-C4' energy: -68.726 flat angles P-C4'-P energy: -45.774 tors. eta vs tors. theta energy: -66.364 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: 256 Temperature: 1.100000 Total energy: -876.543877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.543877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.543877 (E_RNA) where: Base-Base interactions energy: -590.325 where: short stacking energy: -269.467 Base-Backbone interact. energy: 1.800 local terms energy: -288.018786 where: bonds (distance) C4'-P energy: -58.209 bonds (distance) P-C4' energy: -64.531 flat angles C4'-P-C4' energy: -65.223 flat angles P-C4'-P energy: -37.122 tors. eta vs tors. theta energy: -62.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -711.481164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.481164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.481164 (E_RNA) where: Base-Base interactions energy: -436.803 where: short stacking energy: -211.667 Base-Backbone interact. energy: -2.455 local terms energy: -272.223630 where: bonds (distance) C4'-P energy: -59.713 bonds (distance) P-C4' energy: -57.618 flat angles C4'-P-C4' energy: -64.097 flat angles P-C4'-P energy: -39.516 tors. eta vs tors. theta energy: -51.280 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: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -648.636532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.636532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.636532 (E_RNA) where: Base-Base interactions energy: -372.210 where: short stacking energy: -183.608 Base-Backbone interact. energy: -0.512 local terms energy: -275.914903 where: bonds (distance) C4'-P energy: -70.314 bonds (distance) P-C4' energy: -56.957 flat angles C4'-P-C4' energy: -59.949 flat angles P-C4'-P energy: -40.825 tors. eta vs tors. theta energy: -47.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -577.221430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.221430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.221430 (E_RNA) where: Base-Base interactions energy: -329.848 where: short stacking energy: -157.430 Base-Backbone interact. energy: -1.404 local terms energy: -245.969393 where: bonds (distance) C4'-P energy: -72.990 bonds (distance) P-C4' energy: -59.285 flat angles C4'-P-C4' energy: -53.175 flat angles P-C4'-P energy: -35.526 tors. eta vs tors. theta energy: -24.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -376.115921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.115921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.115921 (E_RNA) where: Base-Base interactions energy: -183.084 where: short stacking energy: -126.095 Base-Backbone interact. energy: 3.857 local terms energy: -196.889542 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -47.911 flat angles C4'-P-C4' energy: -56.395 flat angles P-C4'-P energy: -33.390 tors. eta vs tors. theta energy: 1.280 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: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -303.172068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.172068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.172068 (E_RNA) where: Base-Base interactions energy: -114.124 where: short stacking energy: -83.186 Base-Backbone interact. energy: 1.841 local terms energy: -190.889118 where: bonds (distance) C4'-P energy: -56.899 bonds (distance) P-C4' energy: -71.388 flat angles C4'-P-C4' energy: -44.175 flat angles P-C4'-P energy: -24.830 tors. eta vs tors. theta energy: 6.403 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: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1172.385555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.385555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.385555 (E_RNA) where: Base-Base interactions energy: -779.073 where: short stacking energy: -365.157 Base-Backbone interact. energy: 2.489 local terms energy: -395.801243 where: bonds (distance) C4'-P energy: -72.554 bonds (distance) P-C4' energy: -69.697 flat angles C4'-P-C4' energy: -79.718 flat angles P-C4'-P energy: -55.276 tors. eta vs tors. theta energy: -118.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1060.922779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.922779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.922779 (E_RNA) where: Base-Base interactions energy: -695.208 where: short stacking energy: -314.369 Base-Backbone interact. energy: -1.743 local terms energy: -363.972653 where: bonds (distance) C4'-P energy: -66.527 bonds (distance) P-C4' energy: -81.217 flat angles C4'-P-C4' energy: -75.144 flat angles P-C4'-P energy: -49.903 tors. eta vs tors. theta energy: -91.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -949.205773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.205773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.205773 (E_RNA) where: Base-Base interactions energy: -629.354 where: short stacking energy: -293.747 Base-Backbone interact. energy: 0.170 local terms energy: -320.021844 where: bonds (distance) C4'-P energy: -67.331 bonds (distance) P-C4' energy: -58.049 flat angles C4'-P-C4' energy: -71.281 flat angles P-C4'-P energy: -46.857 tors. eta vs tors. theta energy: -76.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -916.154084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.154084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.154084 (E_RNA) where: Base-Base interactions energy: -593.214 where: short stacking energy: -267.283 Base-Backbone interact. energy: -1.275 local terms energy: -321.664706 where: bonds (distance) C4'-P energy: -61.799 bonds (distance) P-C4' energy: -64.011 flat angles C4'-P-C4' energy: -69.477 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -75.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -903.154488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.154488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.154488 (E_RNA) where: Base-Base interactions energy: -589.672 where: short stacking energy: -256.039 Base-Backbone interact. energy: -1.427 local terms energy: -312.055448 where: bonds (distance) C4'-P energy: -63.447 bonds (distance) P-C4' energy: -63.650 flat angles C4'-P-C4' energy: -68.187 flat angles P-C4'-P energy: -43.564 tors. eta vs tors. theta energy: -73.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -739.990303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.990303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.990303 (E_RNA) where: Base-Base interactions energy: -441.352 where: short stacking energy: -209.351 Base-Backbone interact. energy: -0.878 local terms energy: -297.760608 where: bonds (distance) C4'-P energy: -69.802 bonds (distance) P-C4' energy: -65.139 flat angles C4'-P-C4' energy: -61.984 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -59.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -656.332352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.332352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.332352 (E_RNA) where: Base-Base interactions energy: -401.682 where: short stacking energy: -197.653 Base-Backbone interact. energy: -0.766 local terms energy: -253.884446 where: bonds (distance) C4'-P energy: -54.339 bonds (distance) P-C4' energy: -60.849 flat angles C4'-P-C4' energy: -65.046 flat angles P-C4'-P energy: -36.825 tors. eta vs tors. theta energy: -36.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -592.661519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.661519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.661519 (E_RNA) where: Base-Base interactions energy: -338.191 where: short stacking energy: -159.151 Base-Backbone interact. energy: -0.139 local terms energy: -254.331166 where: bonds (distance) C4'-P energy: -73.329 bonds (distance) P-C4' energy: -64.019 flat angles C4'-P-C4' energy: -51.433 flat angles P-C4'-P energy: -39.344 tors. eta vs tors. theta energy: -26.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -392.992064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.992064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.992064 (E_RNA) where: Base-Base interactions energy: -187.882 where: short stacking energy: -95.070 Base-Backbone interact. energy: -1.520 local terms energy: -203.589255 where: bonds (distance) C4'-P energy: -49.563 bonds (distance) P-C4' energy: -67.888 flat angles C4'-P-C4' energy: -54.300 flat angles P-C4'-P energy: -39.297 tors. eta vs tors. theta energy: 7.458 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: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -297.111296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.111296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.111296 (E_RNA) where: Base-Base interactions energy: -92.229 where: short stacking energy: -90.784 Base-Backbone interact. energy: 0.783 local terms energy: -205.665954 where: bonds (distance) C4'-P energy: -55.463 bonds (distance) P-C4' energy: -55.051 flat angles C4'-P-C4' energy: -53.944 flat angles P-C4'-P energy: -40.648 tors. eta vs tors. theta energy: -0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1173.254817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.254817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.254817 (E_RNA) where: Base-Base interactions energy: -797.989 where: short stacking energy: -368.281 Base-Backbone interact. energy: -1.567 local terms energy: -373.698926 where: bonds (distance) C4'-P energy: -66.146 bonds (distance) P-C4' energy: -71.610 flat angles C4'-P-C4' energy: -78.552 flat angles P-C4'-P energy: -51.694 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: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1053.210993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.210993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.210993 (E_RNA) where: Base-Base interactions energy: -717.600 where: short stacking energy: -345.897 Base-Backbone interact. energy: -2.474 local terms energy: -333.137174 where: bonds (distance) C4'-P energy: -56.838 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -69.851 flat angles P-C4'-P energy: -42.932 tors. eta vs tors. theta energy: -99.702 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: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1008.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.867035 (E_RNA) where: Base-Base interactions energy: -656.752 where: short stacking energy: -311.228 Base-Backbone interact. energy: 0.973 local terms energy: -353.087588 where: bonds (distance) C4'-P energy: -73.506 bonds (distance) P-C4' energy: -73.629 flat angles C4'-P-C4' energy: -71.411 flat angles P-C4'-P energy: -52.462 tors. eta vs tors. theta energy: -82.079 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: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -898.613652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.613652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.613652 (E_RNA) where: Base-Base interactions energy: -584.192 where: short stacking energy: -263.821 Base-Backbone interact. energy: -0.025 local terms energy: -314.396409 where: bonds (distance) C4'-P energy: -69.111 bonds (distance) P-C4' energy: -74.069 flat angles C4'-P-C4' energy: -65.800 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -68.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -895.549223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.549223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.549223 (E_RNA) where: Base-Base interactions energy: -589.119 where: short stacking energy: -280.920 Base-Backbone interact. energy: -2.006 local terms energy: -304.424426 where: bonds (distance) C4'-P energy: -65.151 bonds (distance) P-C4' energy: -62.909 flat angles C4'-P-C4' energy: -56.979 flat angles P-C4'-P energy: -43.411 tors. eta vs tors. theta energy: -75.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -765.592330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.592330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.592330 (E_RNA) where: Base-Base interactions energy: -480.980 where: short stacking energy: -240.269 Base-Backbone interact. energy: 0.080 local terms energy: -284.692590 where: bonds (distance) C4'-P energy: -70.838 bonds (distance) P-C4' energy: -65.104 flat angles C4'-P-C4' energy: -60.445 flat angles P-C4'-P energy: -37.274 tors. eta vs tors. theta energy: -51.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -678.830514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.830514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.830514 (E_RNA) where: Base-Base interactions energy: -442.099 where: short stacking energy: -219.083 Base-Backbone interact. energy: 0.269 local terms energy: -237.000673 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -55.612 flat angles C4'-P-C4' energy: -55.357 flat angles P-C4'-P energy: -26.536 tors. eta vs tors. theta energy: -45.151 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: 258 Temperature: 1.250000 Total energy: -634.105661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.105661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.105661 (E_RNA) where: Base-Base interactions energy: -385.777 where: short stacking energy: -201.365 Base-Backbone interact. energy: -0.010 local terms energy: -248.319574 where: bonds (distance) C4'-P energy: -50.646 bonds (distance) P-C4' energy: -54.112 flat angles C4'-P-C4' energy: -61.198 flat angles P-C4'-P energy: -36.205 tors. eta vs tors. theta energy: -46.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -365.079190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.079190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.079190 (E_RNA) where: Base-Base interactions energy: -162.932 where: short stacking energy: -103.298 Base-Backbone interact. energy: -1.657 local terms energy: -200.489567 where: bonds (distance) C4'-P energy: -53.657 bonds (distance) P-C4' energy: -64.345 flat angles C4'-P-C4' energy: -47.871 flat angles P-C4'-P energy: -36.933 tors. eta vs tors. theta energy: 2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -321.044690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.044690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.044690 (E_RNA) where: Base-Base interactions energy: -130.252 where: short stacking energy: -98.841 Base-Backbone interact. energy: 1.248 local terms energy: -192.040068 where: bonds (distance) C4'-P energy: -54.726 bonds (distance) P-C4' energy: -55.280 flat angles C4'-P-C4' energy: -52.141 flat angles P-C4'-P energy: -34.472 tors. eta vs tors. theta energy: 4.579 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: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1165.280822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.280822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.280822 (E_RNA) where: Base-Base interactions energy: -782.686 where: short stacking energy: -370.197 Base-Backbone interact. energy: -1.872 local terms energy: -380.723046 where: bonds (distance) C4'-P energy: -62.488 bonds (distance) P-C4' energy: -72.803 flat angles C4'-P-C4' energy: -82.685 flat angles P-C4'-P energy: -54.362 tors. eta vs tors. theta energy: -108.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1038.160025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.160025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.160025 (E_RNA) where: Base-Base interactions energy: -691.013 where: short stacking energy: -311.579 Base-Backbone interact. energy: 0.514 local terms energy: -347.660383 where: bonds (distance) C4'-P energy: -63.583 bonds (distance) P-C4' energy: -76.506 flat angles C4'-P-C4' energy: -72.583 flat angles P-C4'-P energy: -44.792 tors. eta vs tors. theta energy: -90.196 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: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -980.045816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.045816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.045816 (E_RNA) where: Base-Base interactions energy: -651.666 where: short stacking energy: -317.368 Base-Backbone interact. energy: 0.780 local terms energy: -329.159150 where: bonds (distance) C4'-P energy: -67.738 bonds (distance) P-C4' energy: -55.821 flat angles C4'-P-C4' energy: -73.999 flat angles P-C4'-P energy: -50.203 tors. eta vs tors. theta energy: -81.400 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: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -933.294453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.294453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.294453 (E_RNA) where: Base-Base interactions energy: -621.565 where: short stacking energy: -300.267 Base-Backbone interact. energy: -0.218 local terms energy: -311.511024 where: bonds (distance) C4'-P energy: -54.035 bonds (distance) P-C4' energy: -64.704 flat angles C4'-P-C4' energy: -69.978 flat angles P-C4'-P energy: -49.382 tors. eta vs tors. theta energy: -73.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -865.278690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.278690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.278690 (E_RNA) where: Base-Base interactions energy: -561.658 where: short stacking energy: -246.442 Base-Backbone interact. energy: 1.058 local terms energy: -304.678401 where: bonds (distance) C4'-P energy: -69.481 bonds (distance) P-C4' energy: -59.357 flat angles C4'-P-C4' energy: -72.804 flat angles P-C4'-P energy: -39.028 tors. eta vs tors. theta energy: -64.008 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: 259 Temperature: 1.150000 Total energy: -784.748658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.748658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.748658 (E_RNA) where: Base-Base interactions energy: -490.489 where: short stacking energy: -223.153 Base-Backbone interact. energy: 1.797 local terms energy: -296.056857 where: bonds (distance) C4'-P energy: -62.104 bonds (distance) P-C4' energy: -65.899 flat angles C4'-P-C4' energy: -66.607 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -55.950 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: 1 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -680.104079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.104079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.104079 (E_RNA) where: Base-Base interactions energy: -421.035 where: short stacking energy: -193.296 Base-Backbone interact. energy: -0.147 local terms energy: -258.921831 where: bonds (distance) C4'-P energy: -57.964 bonds (distance) P-C4' energy: -61.542 flat angles C4'-P-C4' energy: -62.501 flat angles P-C4'-P energy: -35.637 tors. eta vs tors. theta energy: -41.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -591.402778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.402778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.402778 (E_RNA) where: Base-Base interactions energy: -343.018 where: short stacking energy: -182.006 Base-Backbone interact. energy: -1.538 local terms energy: -246.847090 where: bonds (distance) C4'-P energy: -61.532 bonds (distance) P-C4' energy: -67.380 flat angles C4'-P-C4' energy: -58.554 flat angles P-C4'-P energy: -30.485 tors. eta vs tors. theta energy: -28.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -378.938458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.938458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.938458 (E_RNA) where: Base-Base interactions energy: -163.106 where: short stacking energy: -92.250 Base-Backbone interact. energy: 3.232 local terms energy: -219.063792 where: bonds (distance) C4'-P energy: -56.420 bonds (distance) P-C4' energy: -65.560 flat angles C4'-P-C4' energy: -47.523 flat angles P-C4'-P energy: -30.607 tors. eta vs tors. theta energy: -18.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -328.788860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.788860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.788860 (E_RNA) where: Base-Base interactions energy: -141.324 where: short stacking energy: -115.712 Base-Backbone interact. energy: -0.600 local terms energy: -186.864732 where: bonds (distance) C4'-P energy: -47.297 bonds (distance) P-C4' energy: -67.265 flat angles C4'-P-C4' energy: -40.686 flat angles P-C4'-P energy: -31.695 tors. eta vs tors. theta energy: 0.079 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: 1, replica: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1149.357589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.357589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.357589 (E_RNA) where: Base-Base interactions energy: -765.067 where: short stacking energy: -348.688 Base-Backbone interact. energy: -1.547 local terms energy: -382.743581 where: bonds (distance) C4'-P energy: -75.294 bonds (distance) P-C4' energy: -72.876 flat angles C4'-P-C4' energy: -72.779 flat angles P-C4'-P energy: -57.488 tors. eta vs tors. theta energy: -104.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1043.535123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.535123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.535123 (E_RNA) where: Base-Base interactions energy: -698.688 where: short stacking energy: -334.364 Base-Backbone interact. energy: -0.590 local terms energy: -344.257596 where: bonds (distance) C4'-P energy: -60.119 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -74.816 flat angles P-C4'-P energy: -46.449 tors. eta vs tors. theta energy: -97.248 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: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -988.619127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.619127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.619127 (E_RNA) where: Base-Base interactions energy: -640.963 where: short stacking energy: -308.540 Base-Backbone interact. energy: -0.161 local terms energy: -347.495431 where: bonds (distance) C4'-P energy: -66.377 bonds (distance) P-C4' energy: -70.087 flat angles C4'-P-C4' energy: -75.379 flat angles P-C4'-P energy: -50.152 tors. eta vs tors. theta energy: -85.501 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: 4, replica: 5 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -960.903959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.903959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.903959 (E_RNA) where: Base-Base interactions energy: -635.125 where: short stacking energy: -313.299 Base-Backbone interact. energy: -0.625 local terms energy: -325.154257 where: bonds (distance) C4'-P energy: -67.852 bonds (distance) P-C4' energy: -55.788 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -51.786 tors. eta vs tors. theta energy: -77.247 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: 5, replica: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -832.351121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.351121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.351121 (E_RNA) where: Base-Base interactions energy: -526.354 where: short stacking energy: -261.632 Base-Backbone interact. energy: -0.143 local terms energy: -305.853923 where: bonds (distance) C4'-P energy: -59.513 bonds (distance) P-C4' energy: -74.692 flat angles C4'-P-C4' energy: -65.313 flat angles P-C4'-P energy: -43.109 tors. eta vs tors. theta energy: -63.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -773.977168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.977168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.977168 (E_RNA) where: Base-Base interactions energy: -499.258 where: short stacking energy: -261.503 Base-Backbone interact. energy: -0.471 local terms energy: -274.248194 where: bonds (distance) C4'-P energy: -45.385 bonds (distance) P-C4' energy: -61.013 flat angles C4'-P-C4' energy: -64.328 flat angles P-C4'-P energy: -41.844 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: 7, replica: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -675.606290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.606290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.606290 (E_RNA) where: Base-Base interactions energy: -408.567 where: short stacking energy: -182.124 Base-Backbone interact. energy: -1.979 local terms energy: -265.060503 where: bonds (distance) C4'-P energy: -51.251 bonds (distance) P-C4' energy: -68.634 flat angles C4'-P-C4' energy: -64.494 flat angles P-C4'-P energy: -34.171 tors. eta vs tors. theta energy: -46.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -539.677004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.677004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.677004 (E_RNA) where: Base-Base interactions energy: -292.886 where: short stacking energy: -148.421 Base-Backbone interact. energy: -0.810 local terms energy: -245.980532 where: bonds (distance) C4'-P energy: -54.743 bonds (distance) P-C4' energy: -61.736 flat angles C4'-P-C4' energy: -55.403 flat angles P-C4'-P energy: -43.137 tors. eta vs tors. theta energy: -30.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -333.671306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.671306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.671306 (E_RNA) where: Base-Base interactions energy: -130.110 where: short stacking energy: -108.076 Base-Backbone interact. energy: -1.553 local terms energy: -202.008785 where: bonds (distance) C4'-P energy: -55.112 bonds (distance) P-C4' energy: -58.563 flat angles C4'-P-C4' energy: -52.980 flat angles P-C4'-P energy: -28.775 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: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -296.097272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.097272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.097272 (E_RNA) where: Base-Base interactions energy: -96.509 where: short stacking energy: -89.912 Base-Backbone interact. energy: 0.394 local terms energy: -199.982420 where: bonds (distance) C4'-P energy: -56.427 bonds (distance) P-C4' energy: -60.301 flat angles C4'-P-C4' energy: -37.197 flat angles P-C4'-P energy: -34.386 tors. eta vs tors. theta energy: -11.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1168.381304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.381304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.381304 (E_RNA) where: Base-Base interactions energy: -775.965 where: short stacking energy: -360.225 Base-Backbone interact. energy: -0.300 local terms energy: -392.116534 where: bonds (distance) C4'-P energy: -64.133 bonds (distance) P-C4' energy: -72.996 flat angles C4'-P-C4' energy: -77.252 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -116.595 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: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1030.791730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.791730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.791730 (E_RNA) where: Base-Base interactions energy: -675.593 where: short stacking energy: -317.268 Base-Backbone interact. energy: -0.287 local terms energy: -354.911862 where: bonds (distance) C4'-P energy: -72.401 bonds (distance) P-C4' energy: -64.838 flat angles C4'-P-C4' energy: -68.073 flat angles P-C4'-P energy: -53.460 tors. eta vs tors. theta energy: -96.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1001.111579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.111579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.111579 (E_RNA) where: Base-Base interactions energy: -652.597 where: short stacking energy: -310.303 Base-Backbone interact. energy: 1.299 local terms energy: -349.813766 where: bonds (distance) C4'-P energy: -67.043 bonds (distance) P-C4' energy: -69.588 flat angles C4'-P-C4' energy: -73.813 flat angles P-C4'-P energy: -50.848 tors. eta vs tors. theta energy: -88.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -912.838827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.838827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.838827 (E_RNA) where: Base-Base interactions energy: -593.369 where: short stacking energy: -287.261 Base-Backbone interact. energy: -0.989 local terms energy: -318.479973 where: bonds (distance) C4'-P energy: -60.392 bonds (distance) P-C4' energy: -63.562 flat angles C4'-P-C4' energy: -76.547 flat angles P-C4'-P energy: -46.621 tors. eta vs tors. theta energy: -71.357 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: 9 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -784.535749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.535749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.535749 (E_RNA) where: Base-Base interactions energy: -489.077 where: short stacking energy: -243.354 Base-Backbone interact. energy: -2.310 local terms energy: -293.148479 where: bonds (distance) C4'-P energy: -61.862 bonds (distance) P-C4' energy: -51.953 flat angles C4'-P-C4' energy: -69.570 flat angles P-C4'-P energy: -42.140 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: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -744.918717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.918717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.918717 (E_RNA) where: Base-Base interactions energy: -468.105 where: short stacking energy: -213.190 Base-Backbone interact. energy: -0.725 local terms energy: -276.089226 where: bonds (distance) C4'-P energy: -52.857 bonds (distance) P-C4' energy: -60.366 flat angles C4'-P-C4' energy: -69.886 flat angles P-C4'-P energy: -39.816 tors. eta vs tors. theta energy: -53.164 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: 1 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -693.128529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.128529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.128529 (E_RNA) where: Base-Base interactions energy: -434.426 where: short stacking energy: -208.840 Base-Backbone interact. energy: -0.073 local terms energy: -258.628853 where: bonds (distance) C4'-P energy: -52.494 bonds (distance) P-C4' energy: -60.268 flat angles C4'-P-C4' energy: -58.941 flat angles P-C4'-P energy: -28.125 tors. eta vs tors. theta energy: -58.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -599.044061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.044061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.044061 (E_RNA) where: Base-Base interactions energy: -330.274 where: short stacking energy: -169.499 Base-Backbone interact. energy: 0.456 local terms energy: -269.226621 where: bonds (distance) C4'-P energy: -59.132 bonds (distance) P-C4' energy: -64.718 flat angles C4'-P-C4' energy: -59.783 flat angles P-C4'-P energy: -44.091 tors. eta vs tors. theta energy: -41.503 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: 9, replica: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -345.318370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.318370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.318370 (E_RNA) where: Base-Base interactions energy: -159.464 where: short stacking energy: -106.648 Base-Backbone interact. energy: 1.610 local terms energy: -187.465267 where: bonds (distance) C4'-P energy: -64.561 bonds (distance) P-C4' energy: -67.227 flat angles C4'-P-C4' energy: -33.645 flat angles P-C4'-P energy: -28.323 tors. eta vs tors. theta energy: 6.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -297.502420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.502420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.502420 (E_RNA) where: Base-Base interactions energy: -99.859 where: short stacking energy: -86.681 Base-Backbone interact. energy: -0.400 local terms energy: -197.243777 where: bonds (distance) C4'-P energy: -50.238 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -40.108 flat angles P-C4'-P energy: -34.150 tors. eta vs tors. theta energy: -4.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1171.222327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.222327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.222327 (E_RNA) where: Base-Base interactions energy: -782.810 where: short stacking energy: -377.633 Base-Backbone interact. energy: -0.845 local terms energy: -387.567715 where: bonds (distance) C4'-P energy: -63.042 bonds (distance) P-C4' energy: -69.549 flat angles C4'-P-C4' energy: -82.289 flat angles P-C4'-P energy: -57.379 tors. eta vs tors. theta energy: -115.309 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: 4 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1018.917413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.917413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.917413 (E_RNA) where: Base-Base interactions energy: -665.927 where: short stacking energy: -301.144 Base-Backbone interact. energy: -0.576 local terms energy: -352.414535 where: bonds (distance) C4'-P energy: -72.764 bonds (distance) P-C4' energy: -65.940 flat angles C4'-P-C4' energy: -69.351 flat angles P-C4'-P energy: -54.464 tors. eta vs tors. theta energy: -89.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1014.299364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.299364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.299364 (E_RNA) where: Base-Base interactions energy: -654.648 where: short stacking energy: -303.176 Base-Backbone interact. energy: 0.072 local terms energy: -359.723314 where: bonds (distance) C4'-P energy: -77.868 bonds (distance) P-C4' energy: -74.524 flat angles C4'-P-C4' energy: -70.938 flat angles P-C4'-P energy: -53.043 tors. eta vs tors. theta energy: -83.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -925.754297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.754297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.754297 (E_RNA) where: Base-Base interactions energy: -600.545 where: short stacking energy: -277.655 Base-Backbone interact. energy: 0.666 local terms energy: -325.875580 where: bonds (distance) C4'-P energy: -60.938 bonds (distance) P-C4' energy: -70.226 flat angles C4'-P-C4' energy: -74.232 flat angles P-C4'-P energy: -47.002 tors. eta vs tors. theta energy: -73.478 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: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -810.218871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.218871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.218871 (E_RNA) where: Base-Base interactions energy: -505.685 where: short stacking energy: -244.389 Base-Backbone interact. energy: -3.008 local terms energy: -301.525427 where: bonds (distance) C4'-P energy: -63.983 bonds (distance) P-C4' energy: -67.793 flat angles C4'-P-C4' energy: -64.774 flat angles P-C4'-P energy: -47.799 tors. eta vs tors. theta energy: -57.177 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: 262 Temperature: 1.150000 Total energy: -721.838567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.838567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.838567 (E_RNA) where: Base-Base interactions energy: -436.924 where: short stacking energy: -215.957 Base-Backbone interact. energy: -0.468 local terms energy: -284.445661 where: bonds (distance) C4'-P energy: -53.172 bonds (distance) P-C4' energy: -74.684 flat angles C4'-P-C4' energy: -65.560 flat angles P-C4'-P energy: -43.571 tors. eta vs tors. theta energy: -47.460 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: 7, replica: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -755.512836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.512836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.512836 (E_RNA) where: Base-Base interactions energy: -482.565 where: short stacking energy: -224.654 Base-Backbone interact. energy: -1.308 local terms energy: -271.640082 where: bonds (distance) C4'-P energy: -56.582 bonds (distance) P-C4' energy: -69.354 flat angles C4'-P-C4' energy: -58.403 flat angles P-C4'-P energy: -38.132 tors. eta vs tors. theta energy: -49.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -606.096472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.096472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.096472 (E_RNA) where: Base-Base interactions energy: -345.059 where: short stacking energy: -178.081 Base-Backbone interact. energy: -0.767 local terms energy: -260.270187 where: bonds (distance) C4'-P energy: -65.930 bonds (distance) P-C4' energy: -54.861 flat angles C4'-P-C4' energy: -63.261 flat angles P-C4'-P energy: -42.752 tors. eta vs tors. theta energy: -33.466 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: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -367.504987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.504987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.504987 (E_RNA) where: Base-Base interactions energy: -192.980 where: short stacking energy: -103.540 Base-Backbone interact. energy: 3.662 local terms energy: -178.186831 where: bonds (distance) C4'-P energy: -66.402 bonds (distance) P-C4' energy: -39.456 flat angles C4'-P-C4' energy: -49.582 flat angles P-C4'-P energy: -24.477 tors. eta vs tors. theta energy: 1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -298.668691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.668691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.668691 (E_RNA) where: Base-Base interactions energy: -114.256 where: short stacking energy: -108.264 Base-Backbone interact. energy: 5.728 local terms energy: -190.140702 where: bonds (distance) C4'-P energy: -50.905 bonds (distance) P-C4' energy: -50.764 flat angles C4'-P-C4' energy: -55.619 flat angles P-C4'-P energy: -26.466 tors. eta vs tors. theta energy: -6.387 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: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1184.755061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.755061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.755061 (E_RNA) where: Base-Base interactions energy: -794.455 where: short stacking energy: -380.558 Base-Backbone interact. energy: 0.121 local terms energy: -390.420514 where: bonds (distance) C4'-P energy: -75.255 bonds (distance) P-C4' energy: -73.186 flat angles C4'-P-C4' energy: -76.090 flat angles P-C4'-P energy: -52.137 tors. eta vs tors. theta energy: -113.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1056.948453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.948453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.948453 (E_RNA) where: Base-Base interactions energy: -685.704 where: short stacking energy: -334.870 Base-Backbone interact. energy: 0.851 local terms energy: -372.095220 where: bonds (distance) C4'-P energy: -72.453 bonds (distance) P-C4' energy: -78.915 flat angles C4'-P-C4' energy: -74.234 flat angles P-C4'-P energy: -43.731 tors. eta vs tors. theta energy: -102.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -998.896931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.896931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.896931 (E_RNA) where: Base-Base interactions energy: -674.103 where: short stacking energy: -318.717 Base-Backbone interact. energy: -1.539 local terms energy: -323.254944 where: bonds (distance) C4'-P energy: -55.216 bonds (distance) P-C4' energy: -70.473 flat angles C4'-P-C4' energy: -74.769 flat angles P-C4'-P energy: -34.097 tors. eta vs tors. theta energy: -88.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -914.852271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.852271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.852271 (E_RNA) where: Base-Base interactions energy: -589.151 where: short stacking energy: -279.245 Base-Backbone interact. energy: 0.686 local terms energy: -326.387334 where: bonds (distance) C4'-P energy: -60.642 bonds (distance) P-C4' energy: -70.376 flat angles C4'-P-C4' energy: -72.444 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -73.185 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: 9 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -810.757982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.757982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.757982 (E_RNA) where: Base-Base interactions energy: -501.129 where: short stacking energy: -237.246 Base-Backbone interact. energy: -0.446 local terms energy: -309.182273 where: bonds (distance) C4'-P energy: -62.865 bonds (distance) P-C4' energy: -72.088 flat angles C4'-P-C4' energy: -69.204 flat angles P-C4'-P energy: -40.904 tors. eta vs tors. theta energy: -64.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -763.937712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.937712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.937712 (E_RNA) where: Base-Base interactions energy: -487.272 where: short stacking energy: -226.296 Base-Backbone interact. energy: -0.001 local terms energy: -276.665157 where: bonds (distance) C4'-P energy: -55.972 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -68.221 flat angles P-C4'-P energy: -41.454 tors. eta vs tors. theta energy: -49.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -721.321619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.321619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.321619 (E_RNA) where: Base-Base interactions energy: -451.573 where: short stacking energy: -189.732 Base-Backbone interact. energy: -0.477 local terms energy: -269.272163 where: bonds (distance) C4'-P energy: -55.908 bonds (distance) P-C4' energy: -67.643 flat angles C4'-P-C4' energy: -59.532 flat angles P-C4'-P energy: -45.903 tors. eta vs tors. theta energy: -40.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -569.795551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.795551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.795551 (E_RNA) where: Base-Base interactions energy: -318.922 where: short stacking energy: -157.745 Base-Backbone interact. energy: -2.878 local terms energy: -247.995074 where: bonds (distance) C4'-P energy: -50.490 bonds (distance) P-C4' energy: -59.448 flat angles C4'-P-C4' energy: -54.438 flat angles P-C4'-P energy: -49.831 tors. eta vs tors. theta energy: -33.787 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: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -317.895985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.895985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.895985 (E_RNA) where: Base-Base interactions energy: -114.237 where: short stacking energy: -93.907 Base-Backbone interact. energy: 1.753 local terms energy: -205.412471 where: bonds (distance) C4'-P energy: -68.123 bonds (distance) P-C4' energy: -54.852 flat angles C4'-P-C4' energy: -63.953 flat angles P-C4'-P energy: -16.967 tors. eta vs tors. theta energy: -1.518 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: 263 Temperature: 1.350000 Total energy: -320.482067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.482067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.482067 (E_RNA) where: Base-Base interactions energy: -143.464 where: short stacking energy: -97.817 Base-Backbone interact. energy: 0.675 local terms energy: -177.692771 where: bonds (distance) C4'-P energy: -59.233 bonds (distance) P-C4' energy: -52.914 flat angles C4'-P-C4' energy: -39.303 flat angles P-C4'-P energy: -33.287 tors. eta vs tors. theta energy: 7.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1192.168556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.168556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.168556 (E_RNA) where: Base-Base interactions energy: -811.336 where: short stacking energy: -381.156 Base-Backbone interact. energy: 0.473 local terms energy: -381.304930 where: bonds (distance) C4'-P energy: -61.968 bonds (distance) P-C4' energy: -68.896 flat angles C4'-P-C4' energy: -75.273 flat angles P-C4'-P energy: -61.000 tors. eta vs tors. theta energy: -114.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1041.018933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.018933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.018933 (E_RNA) where: Base-Base interactions energy: -691.111 where: short stacking energy: -337.988 Base-Backbone interact. energy: 3.211 local terms energy: -353.118827 where: bonds (distance) C4'-P energy: -68.641 bonds (distance) P-C4' energy: -61.915 flat angles C4'-P-C4' energy: -77.788 flat angles P-C4'-P energy: -53.771 tors. eta vs tors. theta energy: -91.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -994.748213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.748213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.748213 (E_RNA) where: Base-Base interactions energy: -650.479 where: short stacking energy: -297.436 Base-Backbone interact. energy: 0.811 local terms energy: -345.080365 where: bonds (distance) C4'-P energy: -72.795 bonds (distance) P-C4' energy: -78.345 flat angles C4'-P-C4' energy: -74.923 flat angles P-C4'-P energy: -39.304 tors. eta vs tors. theta energy: -79.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -925.589975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.589975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.589975 (E_RNA) where: Base-Base interactions energy: -607.059 where: short stacking energy: -282.251 Base-Backbone interact. energy: -0.131 local terms energy: -318.400300 where: bonds (distance) C4'-P energy: -54.694 bonds (distance) P-C4' energy: -67.575 flat angles C4'-P-C4' energy: -65.514 flat angles P-C4'-P energy: -55.292 tors. eta vs tors. theta energy: -75.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -812.320827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.320827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.320827 (E_RNA) where: Base-Base interactions energy: -509.141 where: short stacking energy: -249.436 Base-Backbone interact. energy: -1.267 local terms energy: -301.913169 where: bonds (distance) C4'-P energy: -74.241 bonds (distance) P-C4' energy: -58.710 flat angles C4'-P-C4' energy: -60.092 flat angles P-C4'-P energy: -45.503 tors. eta vs tors. theta energy: -63.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -791.516074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.516074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.516074 (E_RNA) where: Base-Base interactions energy: -509.004 where: short stacking energy: -229.012 Base-Backbone interact. energy: 1.762 local terms energy: -284.273553 where: bonds (distance) C4'-P energy: -50.350 bonds (distance) P-C4' energy: -64.106 flat angles C4'-P-C4' energy: -66.938 flat angles P-C4'-P energy: -54.064 tors. eta vs tors. theta energy: -48.816 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: 3 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -717.658753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.658753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.658753 (E_RNA) where: Base-Base interactions energy: -445.090 where: short stacking energy: -214.422 Base-Backbone interact. energy: -1.026 local terms energy: -271.543031 where: bonds (distance) C4'-P energy: -70.441 bonds (distance) P-C4' energy: -62.006 flat angles C4'-P-C4' energy: -57.753 flat angles P-C4'-P energy: -36.115 tors. eta vs tors. theta energy: -45.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -559.688887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.688887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.688887 (E_RNA) where: Base-Base interactions energy: -335.047 where: short stacking energy: -178.623 Base-Backbone interact. energy: -1.033 local terms energy: -223.609316 where: bonds (distance) C4'-P energy: -50.246 bonds (distance) P-C4' energy: -61.883 flat angles C4'-P-C4' energy: -62.826 flat angles P-C4'-P energy: -17.704 tors. eta vs tors. theta energy: -30.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -338.486286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.486286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.486286 (E_RNA) where: Base-Base interactions energy: -136.423 where: short stacking energy: -101.925 Base-Backbone interact. energy: 3.021 local terms energy: -205.084319 where: bonds (distance) C4'-P energy: -59.612 bonds (distance) P-C4' energy: -47.548 flat angles C4'-P-C4' energy: -48.043 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -5.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -294.940028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.940028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.940028 (E_RNA) where: Base-Base interactions energy: -129.598 where: short stacking energy: -111.505 Base-Backbone interact. energy: -2.072 local terms energy: -163.270052 where: bonds (distance) C4'-P energy: -55.181 bonds (distance) P-C4' energy: -45.947 flat angles C4'-P-C4' energy: -37.071 flat angles P-C4'-P energy: -29.416 tors. eta vs tors. theta energy: 4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1194.425747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.425747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.425747 (E_RNA) where: Base-Base interactions energy: -800.230 where: short stacking energy: -378.685 Base-Backbone interact. energy: -0.717 local terms energy: -393.479200 where: bonds (distance) C4'-P energy: -70.450 bonds (distance) P-C4' energy: -72.443 flat angles C4'-P-C4' energy: -83.890 flat angles P-C4'-P energy: -54.411 tors. eta vs tors. theta energy: -112.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1037.741905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.741905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.741905 (E_RNA) where: Base-Base interactions energy: -703.728 where: short stacking energy: -310.916 Base-Backbone interact. energy: -1.936 local terms energy: -332.078127 where: bonds (distance) C4'-P energy: -66.347 bonds (distance) P-C4' energy: -67.033 flat angles C4'-P-C4' energy: -68.851 flat angles P-C4'-P energy: -50.554 tors. eta vs tors. theta energy: -79.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1023.427080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.427080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.427080 (E_RNA) where: Base-Base interactions energy: -706.599 where: short stacking energy: -313.033 Base-Backbone interact. energy: 0.315 local terms energy: -317.143118 where: bonds (distance) C4'-P energy: -63.981 bonds (distance) P-C4' energy: -62.016 flat angles C4'-P-C4' energy: -70.920 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -78.934 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: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -861.507238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.507238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.507238 (E_RNA) where: Base-Base interactions energy: -561.846 where: short stacking energy: -252.856 Base-Backbone interact. energy: -3.329 local terms energy: -296.331689 where: bonds (distance) C4'-P energy: -52.674 bonds (distance) P-C4' energy: -61.591 flat angles C4'-P-C4' energy: -72.038 flat angles P-C4'-P energy: -46.756 tors. eta vs tors. theta energy: -63.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -874.086248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.086248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.086248 (E_RNA) where: Base-Base interactions energy: -566.031 where: short stacking energy: -253.407 Base-Backbone interact. energy: 0.495 local terms energy: -308.550439 where: bonds (distance) C4'-P energy: -57.632 bonds (distance) P-C4' energy: -66.081 flat angles C4'-P-C4' energy: -73.829 flat angles P-C4'-P energy: -46.826 tors. eta vs tors. theta energy: -64.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -799.071397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.071397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.071397 (E_RNA) where: Base-Base interactions energy: -503.010 where: short stacking energy: -229.908 Base-Backbone interact. energy: -1.530 local terms energy: -294.531447 where: bonds (distance) C4'-P energy: -57.690 bonds (distance) P-C4' energy: -68.810 flat angles C4'-P-C4' energy: -65.391 flat angles P-C4'-P energy: -38.603 tors. eta vs tors. theta energy: -64.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -659.714806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.714806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.714806 (E_RNA) where: Base-Base interactions energy: -395.305 where: short stacking energy: -193.871 Base-Backbone interact. energy: -0.751 local terms energy: -263.659714 where: bonds (distance) C4'-P energy: -59.103 bonds (distance) P-C4' energy: -73.509 flat angles C4'-P-C4' energy: -54.752 flat angles P-C4'-P energy: -37.385 tors. eta vs tors. theta energy: -38.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -551.981968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.981968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.981968 (E_RNA) where: Base-Base interactions energy: -305.244 where: short stacking energy: -177.537 Base-Backbone interact. energy: -0.701 local terms energy: -246.036804 where: bonds (distance) C4'-P energy: -53.989 bonds (distance) P-C4' energy: -66.625 flat angles C4'-P-C4' energy: -52.957 flat angles P-C4'-P energy: -33.326 tors. eta vs tors. theta energy: -39.140 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: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -349.598973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.598973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.598973 (E_RNA) where: Base-Base interactions energy: -154.637 where: short stacking energy: -116.128 Base-Backbone interact. energy: -0.483 local terms energy: -194.479312 where: bonds (distance) C4'-P energy: -55.028 bonds (distance) P-C4' energy: -60.189 flat angles C4'-P-C4' energy: -44.552 flat angles P-C4'-P energy: -28.643 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -292.560030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.560030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.560030 (E_RNA) where: Base-Base interactions energy: -95.677 where: short stacking energy: -90.024 Base-Backbone interact. energy: -0.753 local terms energy: -196.130071 where: bonds (distance) C4'-P energy: -56.402 bonds (distance) P-C4' energy: -50.593 flat angles C4'-P-C4' energy: -52.298 flat angles P-C4'-P energy: -39.988 tors. eta vs tors. theta energy: 3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1195.387282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.387282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.387282 (E_RNA) where: Base-Base interactions energy: -803.480 where: short stacking energy: -363.066 Base-Backbone interact. energy: -0.998 local terms energy: -390.909602 where: bonds (distance) C4'-P energy: -66.754 bonds (distance) P-C4' energy: -73.503 flat angles C4'-P-C4' energy: -81.785 flat angles P-C4'-P energy: -53.615 tors. eta vs tors. theta energy: -115.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1047.611659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.611659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.611659 (E_RNA) where: Base-Base interactions energy: -687.847 where: short stacking energy: -326.690 Base-Backbone interact. energy: -0.437 local terms energy: -359.327823 where: bonds (distance) C4'-P energy: -70.681 bonds (distance) P-C4' energy: -80.305 flat angles C4'-P-C4' energy: -66.025 flat angles P-C4'-P energy: -51.579 tors. eta vs tors. theta energy: -90.738 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: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1040.927113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.927113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.927113 (E_RNA) where: Base-Base interactions energy: -721.808 where: short stacking energy: -320.447 Base-Backbone interact. energy: -0.910 local terms energy: -318.209285 where: bonds (distance) C4'-P energy: -62.900 bonds (distance) P-C4' energy: -57.239 flat angles C4'-P-C4' energy: -74.898 flat angles P-C4'-P energy: -37.353 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: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -869.191395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.191395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.191395 (E_RNA) where: Base-Base interactions energy: -571.687 where: short stacking energy: -252.111 Base-Backbone interact. energy: -1.410 local terms energy: -296.094214 where: bonds (distance) C4'-P energy: -68.934 bonds (distance) P-C4' energy: -64.705 flat angles C4'-P-C4' energy: -64.410 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: -52.896 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: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -860.627206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.627206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.627206 (E_RNA) where: Base-Base interactions energy: -571.919 where: short stacking energy: -264.238 Base-Backbone interact. energy: -0.165 local terms energy: -288.543136 where: bonds (distance) C4'-P energy: -53.825 bonds (distance) P-C4' energy: -62.839 flat angles C4'-P-C4' energy: -68.059 flat angles P-C4'-P energy: -35.064 tors. eta vs tors. theta energy: -68.756 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: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -826.476541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.476541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.476541 (E_RNA) where: Base-Base interactions energy: -516.768 where: short stacking energy: -249.023 Base-Backbone interact. energy: -0.658 local terms energy: -309.050822 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -61.767 flat angles C4'-P-C4' energy: -67.745 flat angles P-C4'-P energy: -38.010 tors. eta vs tors. theta energy: -78.051 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: 3 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -582.653631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.653631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.653631 (E_RNA) where: Base-Base interactions energy: -321.246 where: short stacking energy: -175.155 Base-Backbone interact. energy: -0.876 local terms energy: -260.530990 where: bonds (distance) C4'-P energy: -64.378 bonds (distance) P-C4' energy: -66.320 flat angles C4'-P-C4' energy: -61.958 flat angles P-C4'-P energy: -31.415 tors. eta vs tors. theta energy: -36.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -508.791372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.791372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.791372 (E_RNA) where: Base-Base interactions energy: -279.989 where: short stacking energy: -148.606 Base-Backbone interact. energy: -0.281 local terms energy: -228.521455 where: bonds (distance) C4'-P energy: -60.325 bonds (distance) P-C4' energy: -56.184 flat angles C4'-P-C4' energy: -51.588 flat angles P-C4'-P energy: -45.632 tors. eta vs tors. theta energy: -14.793 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: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -317.566253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.566253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.566253 (E_RNA) where: Base-Base interactions energy: -110.044 where: short stacking energy: -106.522 Base-Backbone interact. energy: -0.150 local terms energy: -207.372864 where: bonds (distance) C4'-P energy: -53.983 bonds (distance) P-C4' energy: -70.520 flat angles C4'-P-C4' energy: -54.983 flat angles P-C4'-P energy: -29.513 tors. eta vs tors. theta energy: 1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -279.377107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.377107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.377107 (E_RNA) where: Base-Base interactions energy: -88.033 where: short stacking energy: -65.158 Base-Backbone interact. energy: -0.975 local terms energy: -190.368723 where: bonds (distance) C4'-P energy: -55.626 bonds (distance) P-C4' energy: -71.160 flat angles C4'-P-C4' energy: -33.927 flat angles P-C4'-P energy: -41.257 tors. eta vs tors. theta energy: 11.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1199.264038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.264038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.264038 (E_RNA) where: Base-Base interactions energy: -812.528 where: short stacking energy: -385.061 Base-Backbone interact. energy: -1.665 local terms energy: -385.071094 where: bonds (distance) C4'-P energy: -74.492 bonds (distance) P-C4' energy: -61.771 flat angles C4'-P-C4' energy: -82.128 flat angles P-C4'-P energy: -47.139 tors. eta vs tors. theta energy: -119.542 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: 4 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1031.214790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.214790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.214790 (E_RNA) where: Base-Base interactions energy: -690.535 where: short stacking energy: -320.213 Base-Backbone interact. energy: 0.017 local terms energy: -340.696895 where: bonds (distance) C4'-P energy: -73.068 bonds (distance) P-C4' energy: -59.340 flat angles C4'-P-C4' energy: -77.843 flat angles P-C4'-P energy: -50.985 tors. eta vs tors. theta energy: -79.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1010.987292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.987292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.987292 (E_RNA) where: Base-Base interactions energy: -675.898 where: short stacking energy: -310.952 Base-Backbone interact. energy: 1.936 local terms energy: -337.025884 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -70.623 flat angles C4'-P-C4' energy: -73.001 flat angles P-C4'-P energy: -49.066 tors. eta vs tors. theta energy: -80.820 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: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -876.444888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.444888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.444888 (E_RNA) where: Base-Base interactions energy: -564.193 where: short stacking energy: -272.089 Base-Backbone interact. energy: -1.373 local terms energy: -310.878015 where: bonds (distance) C4'-P energy: -65.784 bonds (distance) P-C4' energy: -72.279 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -50.964 tors. eta vs tors. theta energy: -58.362 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: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -878.829732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.829732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.829732 (E_RNA) where: Base-Base interactions energy: -581.687 where: short stacking energy: -270.246 Base-Backbone interact. energy: 0.054 local terms energy: -297.196841 where: bonds (distance) C4'-P energy: -67.051 bonds (distance) P-C4' energy: -67.493 flat angles C4'-P-C4' energy: -57.926 flat angles P-C4'-P energy: -42.570 tors. eta vs tors. theta energy: -62.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -837.777351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.777351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.777351 (E_RNA) where: Base-Base interactions energy: -530.086 where: short stacking energy: -254.260 Base-Backbone interact. energy: -1.441 local terms energy: -306.249718 where: bonds (distance) C4'-P energy: -71.202 bonds (distance) P-C4' energy: -61.778 flat angles C4'-P-C4' energy: -56.189 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -68.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -619.455036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.455036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.455036 (E_RNA) where: Base-Base interactions energy: -352.847 where: short stacking energy: -190.307 Base-Backbone interact. energy: -0.355 local terms energy: -266.252950 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -64.512 flat angles C4'-P-C4' energy: -67.430 flat angles P-C4'-P energy: -33.572 tors. eta vs tors. theta energy: -38.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -526.275396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.275396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.275396 (E_RNA) where: Base-Base interactions energy: -292.394 where: short stacking energy: -150.877 Base-Backbone interact. energy: -0.451 local terms energy: -233.430105 where: bonds (distance) C4'-P energy: -55.144 bonds (distance) P-C4' energy: -59.363 flat angles C4'-P-C4' energy: -60.692 flat angles P-C4'-P energy: -36.986 tors. eta vs tors. theta energy: -21.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -310.618135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.618135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.618135 (E_RNA) where: Base-Base interactions energy: -115.241 where: short stacking energy: -110.196 Base-Backbone interact. energy: -2.321 local terms energy: -193.056413 where: bonds (distance) C4'-P energy: -45.390 bonds (distance) P-C4' energy: -63.596 flat angles C4'-P-C4' energy: -50.076 flat angles P-C4'-P energy: -31.822 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: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -273.316556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.316556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.316556 (E_RNA) where: Base-Base interactions energy: -89.608 where: short stacking energy: -73.329 Base-Backbone interact. energy: 0.329 local terms energy: -184.036917 where: bonds (distance) C4'-P energy: -69.203 bonds (distance) P-C4' energy: -51.910 flat angles C4'-P-C4' energy: -48.864 flat angles P-C4'-P energy: -32.296 tors. eta vs tors. theta energy: 18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1193.460898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.460898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.460898 (E_RNA) where: Base-Base interactions energy: -815.783 where: short stacking energy: -385.955 Base-Backbone interact. energy: -0.090 local terms energy: -377.588208 where: bonds (distance) C4'-P energy: -57.260 bonds (distance) P-C4' energy: -64.291 flat angles C4'-P-C4' energy: -79.226 flat angles P-C4'-P energy: -60.000 tors. eta vs tors. theta energy: -116.811 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: 268 Temperature: 0.950000 Total energy: -1052.592927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.592927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.592927 (E_RNA) where: Base-Base interactions energy: -698.072 where: short stacking energy: -315.404 Base-Backbone interact. energy: -0.045 local terms energy: -354.475253 where: bonds (distance) C4'-P energy: -72.832 bonds (distance) P-C4' energy: -74.457 flat angles C4'-P-C4' energy: -73.445 flat angles P-C4'-P energy: -50.560 tors. eta vs tors. theta energy: -83.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -998.251391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.251391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.251391 (E_RNA) where: Base-Base interactions energy: -673.342 where: short stacking energy: -290.954 Base-Backbone interact. energy: -1.392 local terms energy: -323.517299 where: bonds (distance) C4'-P energy: -54.698 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -75.647 flat angles P-C4'-P energy: -45.472 tors. eta vs tors. theta energy: -77.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -890.801827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.801827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.801827 (E_RNA) where: Base-Base interactions energy: -596.812 where: short stacking energy: -261.646 Base-Backbone interact. energy: -1.620 local terms energy: -292.369905 where: bonds (distance) C4'-P energy: -62.141 bonds (distance) P-C4' energy: -66.804 flat angles C4'-P-C4' energy: -60.778 flat angles P-C4'-P energy: -37.131 tors. eta vs tors. theta energy: -65.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -900.452417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.452417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.452417 (E_RNA) where: Base-Base interactions energy: -587.867 where: short stacking energy: -304.492 Base-Backbone interact. energy: -1.391 local terms energy: -311.193921 where: bonds (distance) C4'-P energy: -65.960 bonds (distance) P-C4' energy: -59.038 flat angles C4'-P-C4' energy: -64.836 flat angles P-C4'-P energy: -38.533 tors. eta vs tors. theta energy: -82.828 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: 268 Temperature: 1.150000 Total energy: -837.688536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.688536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.688536 (E_RNA) where: Base-Base interactions energy: -554.914 where: short stacking energy: -258.665 Base-Backbone interact. energy: -1.515 local terms energy: -281.259544 where: bonds (distance) C4'-P energy: -58.935 bonds (distance) P-C4' energy: -55.530 flat angles C4'-P-C4' energy: -66.201 flat angles P-C4'-P energy: -39.246 tors. eta vs tors. theta energy: -61.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -627.405989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.405989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.405989 (E_RNA) where: Base-Base interactions energy: -369.449 where: short stacking energy: -180.883 Base-Backbone interact. energy: -0.348 local terms energy: -257.609129 where: bonds (distance) C4'-P energy: -67.113 bonds (distance) P-C4' energy: -61.406 flat angles C4'-P-C4' energy: -66.980 flat angles P-C4'-P energy: -36.422 tors. eta vs tors. theta energy: -25.688 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: 268 Temperature: 1.250000 Total energy: -534.524670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.524670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.524670 (E_RNA) where: Base-Base interactions energy: -294.239 where: short stacking energy: -155.444 Base-Backbone interact. energy: -1.560 local terms energy: -238.726420 where: bonds (distance) C4'-P energy: -46.219 bonds (distance) P-C4' energy: -60.709 flat angles C4'-P-C4' energy: -62.045 flat angles P-C4'-P energy: -45.899 tors. eta vs tors. theta energy: -23.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -342.834000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.834000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.834000 (E_RNA) where: Base-Base interactions energy: -147.852 where: short stacking energy: -85.698 Base-Backbone interact. energy: 1.845 local terms energy: -196.826579 where: bonds (distance) C4'-P energy: -61.851 bonds (distance) P-C4' energy: -56.573 flat angles C4'-P-C4' energy: -57.765 flat angles P-C4'-P energy: -28.609 tors. eta vs tors. theta energy: 7.971 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: 268 Temperature: 1.350000 Total energy: -302.039334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.039334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.039334 (E_RNA) where: Base-Base interactions energy: -104.729 where: short stacking energy: -90.654 Base-Backbone interact. energy: -1.824 local terms energy: -195.487038 where: bonds (distance) C4'-P energy: -65.381 bonds (distance) P-C4' energy: -60.955 flat angles C4'-P-C4' energy: -27.692 flat angles P-C4'-P energy: -33.623 tors. eta vs tors. theta energy: -7.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1203.868659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.868659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.868659 (E_RNA) where: Base-Base interactions energy: -806.587 where: short stacking energy: -366.324 Base-Backbone interact. energy: -0.221 local terms energy: -397.060923 where: bonds (distance) C4'-P energy: -72.299 bonds (distance) P-C4' energy: -71.986 flat angles C4'-P-C4' energy: -87.542 flat angles P-C4'-P energy: -51.712 tors. eta vs tors. theta energy: -113.522 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: 2, replica: 4 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1072.834607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.834607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.834607 (E_RNA) where: Base-Base interactions energy: -721.835 where: short stacking energy: -341.813 Base-Backbone interact. energy: 0.020 local terms energy: -351.020037 where: bonds (distance) C4'-P energy: -69.594 bonds (distance) P-C4' energy: -60.299 flat angles C4'-P-C4' energy: -79.507 flat angles P-C4'-P energy: -54.029 tors. eta vs tors. theta energy: -87.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1014.468571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.468571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.468571 (E_RNA) where: Base-Base interactions energy: -670.850 where: short stacking energy: -313.811 Base-Backbone interact. energy: -0.998 local terms energy: -342.620831 where: bonds (distance) C4'-P energy: -64.161 bonds (distance) P-C4' energy: -68.292 flat angles C4'-P-C4' energy: -73.909 flat angles P-C4'-P energy: -50.917 tors. eta vs tors. theta energy: -85.342 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: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -926.940764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.940764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.940764 (E_RNA) where: Base-Base interactions energy: -587.500 where: short stacking energy: -304.396 Base-Backbone interact. energy: 1.234 local terms energy: -340.675135 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -71.323 flat angles C4'-P-C4' energy: -71.708 flat angles P-C4'-P energy: -56.654 tors. eta vs tors. theta energy: -80.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -857.768913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.768913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.768913 (E_RNA) where: Base-Base interactions energy: -571.037 where: short stacking energy: -261.752 Base-Backbone interact. energy: 2.156 local terms energy: -288.887639 where: bonds (distance) C4'-P energy: -56.591 bonds (distance) P-C4' energy: -51.502 flat angles C4'-P-C4' energy: -74.489 flat angles P-C4'-P energy: -39.244 tors. eta vs tors. theta energy: -67.063 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: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -895.905928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.905928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.905928 (E_RNA) where: Base-Base interactions energy: -584.554 where: short stacking energy: -259.785 Base-Backbone interact. energy: 0.179 local terms energy: -311.530585 where: bonds (distance) C4'-P energy: -65.616 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -67.773 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: -74.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -639.301136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.301136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.301136 (E_RNA) where: Base-Base interactions energy: -387.059 where: short stacking energy: -184.011 Base-Backbone interact. energy: 3.619 local terms energy: -255.861072 where: bonds (distance) C4'-P energy: -61.146 bonds (distance) P-C4' energy: -67.830 flat angles C4'-P-C4' energy: -63.969 flat angles P-C4'-P energy: -33.543 tors. eta vs tors. theta energy: -29.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -508.898064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.898064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.898064 (E_RNA) where: Base-Base interactions energy: -296.327 where: short stacking energy: -165.020 Base-Backbone interact. energy: 1.598 local terms energy: -214.169197 where: bonds (distance) C4'-P energy: -51.420 bonds (distance) P-C4' energy: -60.491 flat angles C4'-P-C4' energy: -42.177 flat angles P-C4'-P energy: -34.570 tors. eta vs tors. theta energy: -25.512 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: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -304.811321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.811321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.811321 (E_RNA) where: Base-Base interactions energy: -110.808 where: short stacking energy: -91.101 Base-Backbone interact. energy: 5.467 local terms energy: -199.471032 where: bonds (distance) C4'-P energy: -55.214 bonds (distance) P-C4' energy: -63.288 flat angles C4'-P-C4' energy: -51.287 flat angles P-C4'-P energy: -29.504 tors. eta vs tors. theta energy: -0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -308.710914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.710914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.710914 (E_RNA) where: Base-Base interactions energy: -128.809 where: short stacking energy: -114.974 Base-Backbone interact. energy: -1.777 local terms energy: -178.124460 where: bonds (distance) C4'-P energy: -43.747 bonds (distance) P-C4' energy: -62.713 flat angles C4'-P-C4' energy: -59.691 flat angles P-C4'-P energy: -20.706 tors. eta vs tors. theta energy: 8.732 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: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1185.110006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.110006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.110006 (E_RNA) where: Base-Base interactions energy: -812.388 where: short stacking energy: -373.143 Base-Backbone interact. energy: -1.903 local terms energy: -370.818984 where: bonds (distance) C4'-P energy: -63.675 bonds (distance) P-C4' energy: -61.205 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: -118.239 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: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1043.432479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.432479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.432479 (E_RNA) where: Base-Base interactions energy: -705.647 where: short stacking energy: -318.755 Base-Backbone interact. energy: -2.113 local terms energy: -335.672072 where: bonds (distance) C4'-P energy: -67.975 bonds (distance) P-C4' energy: -68.886 flat angles C4'-P-C4' energy: -63.697 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -89.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1013.501817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.501817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.501817 (E_RNA) where: Base-Base interactions energy: -669.612 where: short stacking energy: -321.715 Base-Backbone interact. energy: -1.345 local terms energy: -342.545266 where: bonds (distance) C4'-P energy: -69.181 bonds (distance) P-C4' energy: -66.176 flat angles C4'-P-C4' energy: -74.106 flat angles P-C4'-P energy: -45.892 tors. eta vs tors. theta energy: -87.190 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: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -957.648659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.648659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.648659 (E_RNA) where: Base-Base interactions energy: -635.133 where: short stacking energy: -305.026 Base-Backbone interact. energy: -0.034 local terms energy: -322.481535 where: bonds (distance) C4'-P energy: -64.492 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -64.066 flat angles P-C4'-P energy: -40.583 tors. eta vs tors. theta energy: -88.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -909.778816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.778816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.778816 (E_RNA) where: Base-Base interactions energy: -598.092 where: short stacking energy: -266.826 Base-Backbone interact. energy: -0.087 local terms energy: -311.600204 where: bonds (distance) C4'-P energy: -60.329 bonds (distance) P-C4' energy: -69.684 flat angles C4'-P-C4' energy: -67.378 flat angles P-C4'-P energy: -48.085 tors. eta vs tors. theta energy: -66.124 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: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -862.867904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.867904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.867904 (E_RNA) where: Base-Base interactions energy: -581.071 where: short stacking energy: -261.407 Base-Backbone interact. energy: -2.695 local terms energy: -279.101265 where: bonds (distance) C4'-P energy: -61.000 bonds (distance) P-C4' energy: -53.255 flat angles C4'-P-C4' energy: -59.397 flat angles P-C4'-P energy: -36.983 tors. eta vs tors. theta energy: -68.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -627.889223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.889223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.889223 (E_RNA) where: Base-Base interactions energy: -361.310 where: short stacking energy: -202.381 Base-Backbone interact. energy: -2.010 local terms energy: -264.568679 where: bonds (distance) C4'-P energy: -54.273 bonds (distance) P-C4' energy: -65.002 flat angles C4'-P-C4' energy: -58.382 flat angles P-C4'-P energy: -39.768 tors. eta vs tors. theta energy: -47.145 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: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -508.157315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.157315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.157315 (E_RNA) where: Base-Base interactions energy: -288.700 where: short stacking energy: -151.388 Base-Backbone interact. energy: -0.755 local terms energy: -218.701798 where: bonds (distance) C4'-P energy: -51.120 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -55.368 flat angles P-C4'-P energy: -35.048 tors. eta vs tors. theta energy: -7.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -302.274079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.274079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.274079 (E_RNA) where: Base-Base interactions energy: -116.607 where: short stacking energy: -104.851 Base-Backbone interact. energy: -2.203 local terms energy: -183.464008 where: bonds (distance) C4'-P energy: -48.702 bonds (distance) P-C4' energy: -56.596 flat angles C4'-P-C4' energy: -43.444 flat angles P-C4'-P energy: -32.889 tors. eta vs tors. theta energy: -1.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -312.271161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.271161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.271161 (E_RNA) where: Base-Base interactions energy: -126.242 where: short stacking energy: -88.293 Base-Backbone interact. energy: 1.319 local terms energy: -187.347897 where: bonds (distance) C4'-P energy: -50.351 bonds (distance) P-C4' energy: -66.296 flat angles C4'-P-C4' energy: -48.362 flat angles P-C4'-P energy: -26.022 tors. eta vs tors. theta energy: 3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1173.698098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.698098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.698098 (E_RNA) where: Base-Base interactions energy: -772.726 where: short stacking energy: -380.010 Base-Backbone interact. energy: -0.817 local terms energy: -400.155178 where: bonds (distance) C4'-P energy: -76.157 bonds (distance) P-C4' energy: -78.843 flat angles C4'-P-C4' energy: -77.616 flat angles P-C4'-P energy: -52.438 tors. eta vs tors. theta energy: -115.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1047.010523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.010523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.010523 (E_RNA) where: Base-Base interactions energy: -699.906 where: short stacking energy: -334.747 Base-Backbone interact. energy: 0.554 local terms energy: -347.658531 where: bonds (distance) C4'-P energy: -64.046 bonds (distance) P-C4' energy: -71.737 flat angles C4'-P-C4' energy: -75.273 flat angles P-C4'-P energy: -44.378 tors. eta vs tors. theta energy: -92.224 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: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1016.505490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.505490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.505490 (E_RNA) where: Base-Base interactions energy: -683.079 where: short stacking energy: -298.288 Base-Backbone interact. energy: -1.462 local terms energy: -331.965268 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -75.041 flat angles C4'-P-C4' energy: -80.896 flat angles P-C4'-P energy: -38.707 tors. eta vs tors. theta energy: -67.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -971.120092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.120092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.120092 (E_RNA) where: Base-Base interactions energy: -635.602 where: short stacking energy: -298.298 Base-Backbone interact. energy: -0.733 local terms energy: -334.785074 where: bonds (distance) C4'-P energy: -68.462 bonds (distance) P-C4' energy: -62.496 flat angles C4'-P-C4' energy: -73.378 flat angles P-C4'-P energy: -49.349 tors. eta vs tors. theta energy: -81.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -887.743867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.743867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.743867 (E_RNA) where: Base-Base interactions energy: -583.651 where: short stacking energy: -280.112 Base-Backbone interact. energy: 0.816 local terms energy: -304.908176 where: bonds (distance) C4'-P energy: -52.026 bonds (distance) P-C4' energy: -67.806 flat angles C4'-P-C4' energy: -66.822 flat angles P-C4'-P energy: -45.194 tors. eta vs tors. theta energy: -73.060 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: 6, replica: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -847.649036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.649036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.649036 (E_RNA) where: Base-Base interactions energy: -563.805 where: short stacking energy: -267.912 Base-Backbone interact. energy: -0.088 local terms energy: -283.755994 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -61.878 flat angles C4'-P-C4' energy: -55.479 flat angles P-C4'-P energy: -42.262 tors. eta vs tors. theta energy: -63.791 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: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -634.999566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.999566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.999566 (E_RNA) where: Base-Base interactions energy: -370.101 where: short stacking energy: -193.987 Base-Backbone interact. energy: -0.866 local terms energy: -264.032768 where: bonds (distance) C4'-P energy: -47.694 bonds (distance) P-C4' energy: -55.190 flat angles C4'-P-C4' energy: -68.929 flat angles P-C4'-P energy: -34.714 tors. eta vs tors. theta energy: -57.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -510.643699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.643699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.643699 (E_RNA) where: Base-Base interactions energy: -299.949 where: short stacking energy: -160.843 Base-Backbone interact. energy: 0.940 local terms energy: -211.634364 where: bonds (distance) C4'-P energy: -54.220 bonds (distance) P-C4' energy: -62.917 flat angles C4'-P-C4' energy: -53.729 flat angles P-C4'-P energy: -14.897 tors. eta vs tors. theta energy: -25.871 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: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -306.951173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.951173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.951173 (E_RNA) where: Base-Base interactions energy: -113.968 where: short stacking energy: -91.355 Base-Backbone interact. energy: 0.107 local terms energy: -193.089692 where: bonds (distance) C4'-P energy: -49.544 bonds (distance) P-C4' energy: -65.491 flat angles C4'-P-C4' energy: -58.746 flat angles P-C4'-P energy: -38.358 tors. eta vs tors. theta energy: 19.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -397.913884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.913884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.913884 (E_RNA) where: Base-Base interactions energy: -185.461 where: short stacking energy: -108.411 Base-Backbone interact. energy: 0.712 local terms energy: -213.164761 where: bonds (distance) C4'-P energy: -51.238 bonds (distance) P-C4' energy: -63.846 flat angles C4'-P-C4' energy: -47.525 flat angles P-C4'-P energy: -36.737 tors. eta vs tors. theta energy: -13.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1183.644029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.644029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.644029 (E_RNA) where: Base-Base interactions energy: -802.307 where: short stacking energy: -371.249 Base-Backbone interact. energy: 0.909 local terms energy: -382.246114 where: bonds (distance) C4'-P energy: -66.692 bonds (distance) P-C4' energy: -66.929 flat angles C4'-P-C4' energy: -84.830 flat angles P-C4'-P energy: -51.730 tors. eta vs tors. theta energy: -112.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1045.098232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.098232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.098232 (E_RNA) where: Base-Base interactions energy: -683.634 where: short stacking energy: -332.403 Base-Backbone interact. energy: 0.163 local terms energy: -361.626787 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -72.849 flat angles C4'-P-C4' energy: -79.983 flat angles P-C4'-P energy: -46.730 tors. eta vs tors. theta energy: -97.809 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: 4 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1006.726596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.726596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.726596 (E_RNA) where: Base-Base interactions energy: -694.338 where: short stacking energy: -304.963 Base-Backbone interact. energy: -0.039 local terms energy: -312.350046 where: bonds (distance) C4'-P energy: -53.809 bonds (distance) P-C4' energy: -65.855 flat angles C4'-P-C4' energy: -73.081 flat angles P-C4'-P energy: -50.031 tors. eta vs tors. theta energy: -69.574 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: 1 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -947.952954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.952954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.952954 (E_RNA) where: Base-Base interactions energy: -605.690 where: short stacking energy: -333.246 Base-Backbone interact. energy: -2.449 local terms energy: -339.814315 where: bonds (distance) C4'-P energy: -58.787 bonds (distance) P-C4' energy: -65.042 flat angles C4'-P-C4' energy: -73.377 flat angles P-C4'-P energy: -43.723 tors. eta vs tors. theta energy: -98.885 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: 272 Temperature: 1.100000 Total energy: -863.662031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.662031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.662031 (E_RNA) where: Base-Base interactions energy: -558.632 where: short stacking energy: -271.539 Base-Backbone interact. energy: 2.631 local terms energy: -307.661055 where: bonds (distance) C4'-P energy: -67.651 bonds (distance) P-C4' energy: -59.269 flat angles C4'-P-C4' energy: -74.203 flat angles P-C4'-P energy: -45.714 tors. eta vs tors. theta energy: -60.824 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: 272 Temperature: 1.150000 Total energy: -822.807454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.807454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.807454 (E_RNA) where: Base-Base interactions energy: -536.471 where: short stacking energy: -244.139 Base-Backbone interact. energy: -2.142 local terms energy: -284.194476 where: bonds (distance) C4'-P energy: -46.439 bonds (distance) P-C4' energy: -67.535 flat angles C4'-P-C4' energy: -71.953 flat angles P-C4'-P energy: -38.704 tors. eta vs tors. theta energy: -59.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -666.557875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.557875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.557875 (E_RNA) where: Base-Base interactions energy: -409.709 where: short stacking energy: -212.835 Base-Backbone interact. energy: -0.748 local terms energy: -256.101786 where: bonds (distance) C4'-P energy: -54.414 bonds (distance) P-C4' energy: -70.207 flat angles C4'-P-C4' energy: -58.741 flat angles P-C4'-P energy: -23.656 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: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -581.842975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.842975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.842975 (E_RNA) where: Base-Base interactions energy: -339.072 where: short stacking energy: -187.103 Base-Backbone interact. energy: -0.055 local terms energy: -242.716804 where: bonds (distance) C4'-P energy: -58.703 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -48.438 flat angles P-C4'-P energy: -39.819 tors. eta vs tors. theta energy: -38.446 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: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -291.011698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.011698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.011698 (E_RNA) where: Base-Base interactions energy: -105.637 where: short stacking energy: -93.112 Base-Backbone interact. energy: 1.602 local terms energy: -186.977188 where: bonds (distance) C4'-P energy: -38.664 bonds (distance) P-C4' energy: -59.570 flat angles C4'-P-C4' energy: -63.096 flat angles P-C4'-P energy: -28.887 tors. eta vs tors. theta energy: 3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -320.659780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.659780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.659780 (E_RNA) where: Base-Base interactions energy: -153.090 where: short stacking energy: -86.807 Base-Backbone interact. energy: 5.966 local terms energy: -173.536500 where: bonds (distance) C4'-P energy: -39.189 bonds (distance) P-C4' energy: -52.653 flat angles C4'-P-C4' energy: -50.152 flat angles P-C4'-P energy: -44.637 tors. eta vs tors. theta energy: 13.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1170.186234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.186234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.186234 (E_RNA) where: Base-Base interactions energy: -789.261 where: short stacking energy: -373.568 Base-Backbone interact. energy: -1.494 local terms energy: -379.432022 where: bonds (distance) C4'-P energy: -70.462 bonds (distance) P-C4' energy: -60.905 flat angles C4'-P-C4' energy: -79.164 flat angles P-C4'-P energy: -50.249 tors. eta vs tors. theta energy: -118.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1022.994419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.994419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.994419 (E_RNA) where: Base-Base interactions energy: -663.499 where: short stacking energy: -303.405 Base-Backbone interact. energy: -3.923 local terms energy: -355.572302 where: bonds (distance) C4'-P energy: -64.582 bonds (distance) P-C4' energy: -69.732 flat angles C4'-P-C4' energy: -73.641 flat angles P-C4'-P energy: -59.038 tors. eta vs tors. theta energy: -88.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1012.327253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.327253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.327253 (E_RNA) where: Base-Base interactions energy: -688.168 where: short stacking energy: -321.977 Base-Backbone interact. energy: -1.209 local terms energy: -322.950646 where: bonds (distance) C4'-P energy: -54.608 bonds (distance) P-C4' energy: -60.641 flat angles C4'-P-C4' energy: -75.331 flat angles P-C4'-P energy: -48.739 tors. eta vs tors. theta energy: -83.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -877.544976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.544976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.544976 (E_RNA) where: Base-Base interactions energy: -569.447 where: short stacking energy: -273.540 Base-Backbone interact. energy: -1.152 local terms energy: -306.945734 where: bonds (distance) C4'-P energy: -57.646 bonds (distance) P-C4' energy: -65.966 flat angles C4'-P-C4' energy: -72.868 flat angles P-C4'-P energy: -42.135 tors. eta vs tors. theta energy: -68.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -911.185666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.185666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.185666 (E_RNA) where: Base-Base interactions energy: -576.708 where: short stacking energy: -274.638 Base-Backbone interact. energy: -0.834 local terms energy: -333.643537 where: bonds (distance) C4'-P energy: -73.138 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -61.670 flat angles P-C4'-P energy: -46.790 tors. eta vs tors. theta energy: -82.660 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: 273 Temperature: 1.150000 Total energy: -831.255562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.255562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.255562 (E_RNA) where: Base-Base interactions energy: -557.351 where: short stacking energy: -254.614 Base-Backbone interact. energy: 3.359 local terms energy: -277.263635 where: bonds (distance) C4'-P energy: -60.361 bonds (distance) P-C4' energy: -55.120 flat angles C4'-P-C4' energy: -63.391 flat angles P-C4'-P energy: -36.818 tors. eta vs tors. theta energy: -61.574 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: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -663.385059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.385059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.385059 (E_RNA) where: Base-Base interactions energy: -390.448 where: short stacking energy: -208.647 Base-Backbone interact. energy: 0.433 local terms energy: -273.369501 where: bonds (distance) C4'-P energy: -56.467 bonds (distance) P-C4' energy: -56.916 flat angles C4'-P-C4' energy: -69.679 flat angles P-C4'-P energy: -40.072 tors. eta vs tors. theta energy: -50.235 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: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -544.568227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.568227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.568227 (E_RNA) where: Base-Base interactions energy: -291.041 where: short stacking energy: -160.223 Base-Backbone interact. energy: 0.651 local terms energy: -254.177938 where: bonds (distance) C4'-P energy: -60.659 bonds (distance) P-C4' energy: -72.515 flat angles C4'-P-C4' energy: -57.773 flat angles P-C4'-P energy: -43.037 tors. eta vs tors. theta energy: -20.193 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: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -341.111211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.111211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.111211 (E_RNA) where: Base-Base interactions energy: -143.659 where: short stacking energy: -97.844 Base-Backbone interact. energy: 0.281 local terms energy: -197.733351 where: bonds (distance) C4'-P energy: -54.101 bonds (distance) P-C4' energy: -53.639 flat angles C4'-P-C4' energy: -51.318 flat angles P-C4'-P energy: -31.361 tors. eta vs tors. theta energy: -7.314 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: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -291.621896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.621896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.621896 (E_RNA) where: Base-Base interactions energy: -104.363 where: short stacking energy: -92.990 Base-Backbone interact. energy: 0.126 local terms energy: -187.385403 where: bonds (distance) C4'-P energy: -41.439 bonds (distance) P-C4' energy: -57.617 flat angles C4'-P-C4' energy: -54.401 flat angles P-C4'-P energy: -36.191 tors. eta vs tors. theta energy: 2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1176.462849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.462849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.462849 (E_RNA) where: Base-Base interactions energy: -804.441 where: short stacking energy: -370.318 Base-Backbone interact. energy: -0.912 local terms energy: -371.110310 where: bonds (distance) C4'-P energy: -56.203 bonds (distance) P-C4' energy: -72.755 flat angles C4'-P-C4' energy: -78.093 flat angles P-C4'-P energy: -52.971 tors. eta vs tors. theta energy: -111.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1015.415359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.415359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.415359 (E_RNA) where: Base-Base interactions energy: -667.948 where: short stacking energy: -316.349 Base-Backbone interact. energy: -2.010 local terms energy: -345.456736 where: bonds (distance) C4'-P energy: -67.629 bonds (distance) P-C4' energy: -67.699 flat angles C4'-P-C4' energy: -70.217 flat angles P-C4'-P energy: -51.079 tors. eta vs tors. theta energy: -88.833 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: 4 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1025.961581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.961581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.961581 (E_RNA) where: Base-Base interactions energy: -695.553 where: short stacking energy: -317.123 Base-Backbone interact. energy: -1.021 local terms energy: -329.387503 where: bonds (distance) C4'-P energy: -62.311 bonds (distance) P-C4' energy: -60.750 flat angles C4'-P-C4' energy: -81.518 flat angles P-C4'-P energy: -45.058 tors. eta vs tors. theta energy: -79.750 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: 274 Temperature: 1.050000 Total energy: -895.296211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.296211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.296211 (E_RNA) where: Base-Base interactions energy: -602.773 where: short stacking energy: -271.301 Base-Backbone interact. energy: -0.061 local terms energy: -292.461366 where: bonds (distance) C4'-P energy: -64.218 bonds (distance) P-C4' energy: -56.912 flat angles C4'-P-C4' energy: -68.306 flat angles P-C4'-P energy: -42.255 tors. eta vs tors. theta energy: -60.770 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: 5, replica: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -918.352487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.352487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.352487 (E_RNA) where: Base-Base interactions energy: -580.036 where: short stacking energy: -314.662 Base-Backbone interact. energy: -0.919 local terms energy: -337.397782 where: bonds (distance) C4'-P energy: -65.364 bonds (distance) P-C4' energy: -70.862 flat angles C4'-P-C4' energy: -79.858 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -80.755 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: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -814.159331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.159331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.159331 (E_RNA) where: Base-Base interactions energy: -537.055 where: short stacking energy: -239.237 Base-Backbone interact. energy: -1.354 local terms energy: -275.751046 where: bonds (distance) C4'-P energy: -63.472 bonds (distance) P-C4' energy: -62.138 flat angles C4'-P-C4' energy: -48.701 flat angles P-C4'-P energy: -45.688 tors. eta vs tors. theta energy: -55.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -687.254586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.254586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.254586 (E_RNA) where: Base-Base interactions energy: -406.921 where: short stacking energy: -197.064 Base-Backbone interact. energy: -1.182 local terms energy: -279.151279 where: bonds (distance) C4'-P energy: -57.669 bonds (distance) P-C4' energy: -65.459 flat angles C4'-P-C4' energy: -69.276 flat angles P-C4'-P energy: -41.421 tors. eta vs tors. theta energy: -45.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -559.284831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.284831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.284831 (E_RNA) where: Base-Base interactions energy: -313.683 where: short stacking energy: -165.050 Base-Backbone interact. energy: -1.366 local terms energy: -244.235036 where: bonds (distance) C4'-P energy: -64.324 bonds (distance) P-C4' energy: -64.681 flat angles C4'-P-C4' energy: -46.624 flat angles P-C4'-P energy: -37.988 tors. eta vs tors. theta energy: -30.617 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: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -302.562250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.562250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.562250 (E_RNA) where: Base-Base interactions energy: -121.927 where: short stacking energy: -100.349 Base-Backbone interact. energy: 1.621 local terms energy: -182.255624 where: bonds (distance) C4'-P energy: -57.836 bonds (distance) P-C4' energy: -51.141 flat angles C4'-P-C4' energy: -45.762 flat angles P-C4'-P energy: -30.472 tors. eta vs tors. theta energy: 2.955 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: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -311.016999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.016999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.016999 (E_RNA) where: Base-Base interactions energy: -113.781 where: short stacking energy: -72.788 Base-Backbone interact. energy: 1.920 local terms energy: -199.155471 where: bonds (distance) C4'-P energy: -64.740 bonds (distance) P-C4' energy: -64.254 flat angles C4'-P-C4' energy: -49.344 flat angles P-C4'-P energy: -27.754 tors. eta vs tors. theta energy: 6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1161.078310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.078310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.078310 (E_RNA) where: Base-Base interactions energy: -790.708 where: short stacking energy: -380.623 Base-Backbone interact. energy: -1.013 local terms energy: -369.357348 where: bonds (distance) C4'-P energy: -70.009 bonds (distance) P-C4' energy: -63.807 flat angles C4'-P-C4' energy: -81.117 flat angles P-C4'-P energy: -44.126 tors. eta vs tors. theta energy: -110.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1040.720854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.720854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.720854 (E_RNA) where: Base-Base interactions energy: -689.652 where: short stacking energy: -318.862 Base-Backbone interact. energy: -3.990 local terms energy: -347.078185 where: bonds (distance) C4'-P energy: -62.590 bonds (distance) P-C4' energy: -72.265 flat angles C4'-P-C4' energy: -70.702 flat angles P-C4'-P energy: -50.380 tors. eta vs tors. theta energy: -91.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1006.298320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.298320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.298320 (E_RNA) where: Base-Base interactions energy: -656.982 where: short stacking energy: -313.810 Base-Backbone interact. energy: -0.753 local terms energy: -348.563119 where: bonds (distance) C4'-P energy: -68.007 bonds (distance) P-C4' energy: -62.601 flat angles C4'-P-C4' energy: -79.609 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -89.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -936.966077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.966077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.966077 (E_RNA) where: Base-Base interactions energy: -600.340 where: short stacking energy: -307.744 Base-Backbone interact. energy: -0.277 local terms energy: -336.348927 where: bonds (distance) C4'-P energy: -69.884 bonds (distance) P-C4' energy: -67.632 flat angles C4'-P-C4' energy: -70.369 flat angles P-C4'-P energy: -38.625 tors. eta vs tors. theta energy: -89.838 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: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -850.151191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.151191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.151191 (E_RNA) where: Base-Base interactions energy: -560.925 where: short stacking energy: -250.541 Base-Backbone interact. energy: -2.635 local terms energy: -286.590938 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -68.717 flat angles C4'-P-C4' energy: -67.785 flat angles P-C4'-P energy: -34.760 tors. eta vs tors. theta energy: -54.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -816.161243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.161243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.161243 (E_RNA) where: Base-Base interactions energy: -515.015 where: short stacking energy: -248.563 Base-Backbone interact. energy: 4.250 local terms energy: -305.395871 where: bonds (distance) C4'-P energy: -60.497 bonds (distance) P-C4' energy: -71.975 flat angles C4'-P-C4' energy: -74.771 flat angles P-C4'-P energy: -40.041 tors. eta vs tors. theta energy: -58.112 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: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -679.071980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.071980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.071980 (E_RNA) where: Base-Base interactions energy: -402.941 where: short stacking energy: -225.270 Base-Backbone interact. energy: -0.762 local terms energy: -275.368469 where: bonds (distance) C4'-P energy: -55.088 bonds (distance) P-C4' energy: -68.809 flat angles C4'-P-C4' energy: -59.511 flat angles P-C4'-P energy: -39.025 tors. eta vs tors. theta energy: -52.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -537.935057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.935057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.935057 (E_RNA) where: Base-Base interactions energy: -317.632 where: short stacking energy: -173.098 Base-Backbone interact. energy: -0.790 local terms energy: -219.513695 where: bonds (distance) C4'-P energy: -51.945 bonds (distance) P-C4' energy: -47.660 flat angles C4'-P-C4' energy: -59.903 flat angles P-C4'-P energy: -37.234 tors. eta vs tors. theta energy: -22.772 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: 275 Temperature: 1.300000 Total energy: -364.057494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.057494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.057494 (E_RNA) where: Base-Base interactions energy: -156.498 where: short stacking energy: -76.162 Base-Backbone interact. energy: -0.871 local terms energy: -206.688180 where: bonds (distance) C4'-P energy: -64.680 bonds (distance) P-C4' energy: -69.466 flat angles C4'-P-C4' energy: -55.471 flat angles P-C4'-P energy: -30.282 tors. eta vs tors. theta energy: 13.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -312.329784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.329784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.329784 (E_RNA) where: Base-Base interactions energy: -146.634 where: short stacking energy: -105.791 Base-Backbone interact. energy: -1.092 local terms energy: -164.603577 where: bonds (distance) C4'-P energy: -54.899 bonds (distance) P-C4' energy: -58.937 flat angles C4'-P-C4' energy: -37.183 flat angles P-C4'-P energy: -18.268 tors. eta vs tors. theta energy: 4.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1192.584844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.584844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.584844 (E_RNA) where: Base-Base interactions energy: -801.075 where: short stacking energy: -382.130 Base-Backbone interact. energy: -1.774 local terms energy: -389.735639 where: bonds (distance) C4'-P energy: -72.573 bonds (distance) P-C4' energy: -66.426 flat angles C4'-P-C4' energy: -82.192 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: -116.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1041.583648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.583648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.583648 (E_RNA) where: Base-Base interactions energy: -697.401 where: short stacking energy: -322.913 Base-Backbone interact. energy: -1.490 local terms energy: -342.693101 where: bonds (distance) C4'-P energy: -62.929 bonds (distance) P-C4' energy: -67.188 flat angles C4'-P-C4' energy: -80.014 flat angles P-C4'-P energy: -45.735 tors. eta vs tors. theta energy: -86.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -997.549444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.549444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.549444 (E_RNA) where: Base-Base interactions energy: -664.173 where: short stacking energy: -286.178 Base-Backbone interact. energy: 0.240 local terms energy: -333.616357 where: bonds (distance) C4'-P energy: -59.470 bonds (distance) P-C4' energy: -69.025 flat angles C4'-P-C4' energy: -80.397 flat angles P-C4'-P energy: -50.977 tors. eta vs tors. theta energy: -73.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -926.385688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.385688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.385688 (E_RNA) where: Base-Base interactions energy: -601.271 where: short stacking energy: -290.572 Base-Backbone interact. energy: -0.509 local terms energy: -324.605520 where: bonds (distance) C4'-P energy: -62.251 bonds (distance) P-C4' energy: -63.597 flat angles C4'-P-C4' energy: -64.314 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -83.906 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: 276 Temperature: 1.100000 Total energy: -886.714312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.714312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.714312 (E_RNA) where: Base-Base interactions energy: -568.934 where: short stacking energy: -270.477 Base-Backbone interact. energy: -1.973 local terms energy: -315.807877 where: bonds (distance) C4'-P energy: -74.989 bonds (distance) P-C4' energy: -56.177 flat angles C4'-P-C4' energy: -70.431 flat angles P-C4'-P energy: -43.633 tors. eta vs tors. theta energy: -70.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -797.414662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.414662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.414662 (E_RNA) where: Base-Base interactions energy: -522.784 where: short stacking energy: -230.689 Base-Backbone interact. energy: -1.850 local terms energy: -272.781293 where: bonds (distance) C4'-P energy: -66.700 bonds (distance) P-C4' energy: -56.871 flat angles C4'-P-C4' energy: -57.581 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -39.984 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: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -643.583665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.583665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.583665 (E_RNA) where: Base-Base interactions energy: -375.897 where: short stacking energy: -190.735 Base-Backbone interact. energy: -0.606 local terms energy: -267.080937 where: bonds (distance) C4'-P energy: -60.155 bonds (distance) P-C4' energy: -67.873 flat angles C4'-P-C4' energy: -67.305 flat angles P-C4'-P energy: -35.219 tors. eta vs tors. theta energy: -36.529 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: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -535.193073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.193073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.193073 (E_RNA) where: Base-Base interactions energy: -304.718 where: short stacking energy: -144.459 Base-Backbone interact. energy: -0.679 local terms energy: -229.796219 where: bonds (distance) C4'-P energy: -55.807 bonds (distance) P-C4' energy: -68.189 flat angles C4'-P-C4' energy: -50.560 flat angles P-C4'-P energy: -38.397 tors. eta vs tors. theta energy: -16.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -311.789107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.789107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.789107 (E_RNA) where: Base-Base interactions energy: -110.654 where: short stacking energy: -76.686 Base-Backbone interact. energy: -0.677 local terms energy: -200.458664 where: bonds (distance) C4'-P energy: -62.017 bonds (distance) P-C4' energy: -50.648 flat angles C4'-P-C4' energy: -51.996 flat angles P-C4'-P energy: -29.935 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -311.695642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.695642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.695642 (E_RNA) where: Base-Base interactions energy: -129.953 where: short stacking energy: -83.702 Base-Backbone interact. energy: 1.309 local terms energy: -183.052188 where: bonds (distance) C4'-P energy: -58.776 bonds (distance) P-C4' energy: -64.903 flat angles C4'-P-C4' energy: -40.194 flat angles P-C4'-P energy: -27.847 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: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1190.105195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.105195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.105195 (E_RNA) where: Base-Base interactions energy: -810.778 where: short stacking energy: -394.551 Base-Backbone interact. energy: -0.815 local terms energy: -378.511965 where: bonds (distance) C4'-P energy: -73.249 bonds (distance) P-C4' energy: -67.778 flat angles C4'-P-C4' energy: -81.543 flat angles P-C4'-P energy: -41.542 tors. eta vs tors. theta energy: -114.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1058.141916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.141916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.141916 (E_RNA) where: Base-Base interactions energy: -694.033 where: short stacking energy: -329.939 Base-Backbone interact. energy: -2.057 local terms energy: -362.051187 where: bonds (distance) C4'-P energy: -64.183 bonds (distance) P-C4' energy: -74.098 flat angles C4'-P-C4' energy: -74.656 flat angles P-C4'-P energy: -54.609 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: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -994.054813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.054813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.054813 (E_RNA) where: Base-Base interactions energy: -640.826 where: short stacking energy: -298.982 Base-Backbone interact. energy: 0.660 local terms energy: -353.888756 where: bonds (distance) C4'-P energy: -70.770 bonds (distance) P-C4' energy: -71.498 flat angles C4'-P-C4' energy: -78.927 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -82.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -939.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.493045 (E_RNA) where: Base-Base interactions energy: -604.481 where: short stacking energy: -315.730 Base-Backbone interact. energy: -0.970 local terms energy: -334.042109 where: bonds (distance) C4'-P energy: -58.395 bonds (distance) P-C4' energy: -75.120 flat angles C4'-P-C4' energy: -70.770 flat angles P-C4'-P energy: -46.751 tors. eta vs tors. theta energy: -83.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -903.987333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.987333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.987333 (E_RNA) where: Base-Base interactions energy: -581.338 where: short stacking energy: -270.980 Base-Backbone interact. energy: 1.225 local terms energy: -323.874572 where: bonds (distance) C4'-P energy: -64.300 bonds (distance) P-C4' energy: -67.232 flat angles C4'-P-C4' energy: -68.398 flat angles P-C4'-P energy: -49.322 tors. eta vs tors. theta energy: -74.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -795.022365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.022365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.022365 (E_RNA) where: Base-Base interactions energy: -494.727 where: short stacking energy: -244.579 Base-Backbone interact. energy: 0.635 local terms energy: -300.930421 where: bonds (distance) C4'-P energy: -66.591 bonds (distance) P-C4' energy: -67.272 flat angles C4'-P-C4' energy: -62.388 flat angles P-C4'-P energy: -46.377 tors. eta vs tors. theta energy: -58.302 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: 3 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -655.873980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.873980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.873980 (E_RNA) where: Base-Base interactions energy: -383.075 where: short stacking energy: -190.987 Base-Backbone interact. energy: -0.605 local terms energy: -272.193889 where: bonds (distance) C4'-P energy: -57.337 bonds (distance) P-C4' energy: -69.899 flat angles C4'-P-C4' energy: -65.207 flat angles P-C4'-P energy: -37.892 tors. eta vs tors. theta energy: -41.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -545.673917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.673917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.673917 (E_RNA) where: Base-Base interactions energy: -314.806 where: short stacking energy: -181.831 Base-Backbone interact. energy: -0.072 local terms energy: -230.796444 where: bonds (distance) C4'-P energy: -56.318 bonds (distance) P-C4' energy: -58.230 flat angles C4'-P-C4' energy: -55.563 flat angles P-C4'-P energy: -34.555 tors. eta vs tors. theta energy: -26.131 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: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -344.745066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.745066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.745066 (E_RNA) where: Base-Base interactions energy: -159.910 where: short stacking energy: -96.602 Base-Backbone interact. energy: -2.054 local terms energy: -182.780938 where: bonds (distance) C4'-P energy: -51.203 bonds (distance) P-C4' energy: -61.067 flat angles C4'-P-C4' energy: -52.785 flat angles P-C4'-P energy: -32.005 tors. eta vs tors. theta energy: 14.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -313.575789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.575789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.575789 (E_RNA) where: Base-Base interactions energy: -115.277 where: short stacking energy: -84.457 Base-Backbone interact. energy: 0.447 local terms energy: -198.746314 where: bonds (distance) C4'-P energy: -61.460 bonds (distance) P-C4' energy: -53.879 flat angles C4'-P-C4' energy: -46.340 flat angles P-C4'-P energy: -38.258 tors. eta vs tors. theta energy: 1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1165.190924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.190924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.190924 (E_RNA) where: Base-Base interactions energy: -769.980 where: short stacking energy: -365.127 Base-Backbone interact. energy: -1.334 local terms energy: -393.876288 where: bonds (distance) C4'-P energy: -62.824 bonds (distance) P-C4' energy: -79.600 flat angles C4'-P-C4' energy: -79.434 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -115.771 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: 2, replica: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1005.695591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.695591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.695591 (E_RNA) where: Base-Base interactions energy: -656.143 where: short stacking energy: -296.442 Base-Backbone interact. energy: -1.322 local terms energy: -348.230540 where: bonds (distance) C4'-P energy: -72.296 bonds (distance) P-C4' energy: -74.018 flat angles C4'-P-C4' energy: -76.721 flat angles P-C4'-P energy: -45.365 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: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -972.184353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.184353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.184353 (E_RNA) where: Base-Base interactions energy: -635.275 where: short stacking energy: -316.181 Base-Backbone interact. energy: -1.325 local terms energy: -335.584625 where: bonds (distance) C4'-P energy: -67.512 bonds (distance) P-C4' energy: -68.886 flat angles C4'-P-C4' energy: -81.385 flat angles P-C4'-P energy: -38.651 tors. eta vs tors. theta energy: -79.150 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: 278 Temperature: 1.050000 Total energy: -983.822997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.822997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.822997 (E_RNA) where: Base-Base interactions energy: -654.349 where: short stacking energy: -306.860 Base-Backbone interact. energy: -1.709 local terms energy: -327.765502 where: bonds (distance) C4'-P energy: -61.847 bonds (distance) P-C4' energy: -65.559 flat angles C4'-P-C4' energy: -71.764 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: -77.770 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: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -856.862555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.862555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.862555 (E_RNA) where: Base-Base interactions energy: -554.230 where: short stacking energy: -245.866 Base-Backbone interact. energy: -1.061 local terms energy: -301.571306 where: bonds (distance) C4'-P energy: -66.673 bonds (distance) P-C4' energy: -75.409 flat angles C4'-P-C4' energy: -65.168 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -51.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -711.062495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.062495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.062495 (E_RNA) where: Base-Base interactions energy: -480.860 where: short stacking energy: -201.594 Base-Backbone interact. energy: 7.197 local terms energy: -237.399709 where: bonds (distance) C4'-P energy: -61.088 bonds (distance) P-C4' energy: -59.971 flat angles C4'-P-C4' energy: -52.443 flat angles P-C4'-P energy: -39.793 tors. eta vs tors. theta energy: -24.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -574.891509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.891509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.891509 (E_RNA) where: Base-Base interactions energy: -330.424 where: short stacking energy: -197.249 Base-Backbone interact. energy: -0.506 local terms energy: -243.960976 where: bonds (distance) C4'-P energy: -62.326 bonds (distance) P-C4' energy: -51.373 flat angles C4'-P-C4' energy: -61.512 flat angles P-C4'-P energy: -28.275 tors. eta vs tors. theta energy: -40.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -589.953011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.953011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.953011 (E_RNA) where: Base-Base interactions energy: -331.369 where: short stacking energy: -164.956 Base-Backbone interact. energy: -0.828 local terms energy: -257.755858 where: bonds (distance) C4'-P energy: -58.799 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -65.931 flat angles P-C4'-P energy: -38.771 tors. eta vs tors. theta energy: -25.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -325.041111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.041111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.041111 (E_RNA) where: Base-Base interactions energy: -123.658 where: short stacking energy: -75.787 Base-Backbone interact. energy: 2.818 local terms energy: -204.200644 where: bonds (distance) C4'-P energy: -63.766 bonds (distance) P-C4' energy: -67.163 flat angles C4'-P-C4' energy: -61.118 flat angles P-C4'-P energy: -24.463 tors. eta vs tors. theta energy: 12.310 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: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -290.759537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.759537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.759537 (E_RNA) where: Base-Base interactions energy: -123.543 where: short stacking energy: -105.318 Base-Backbone interact. energy: 11.197 local terms energy: -178.413170 where: bonds (distance) C4'-P energy: -52.405 bonds (distance) P-C4' energy: -62.134 flat angles C4'-P-C4' energy: -37.076 flat angles P-C4'-P energy: -32.935 tors. eta vs tors. theta energy: 6.136 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: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1179.573480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.573480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.573480 (E_RNA) where: Base-Base interactions energy: -808.289 where: short stacking energy: -379.281 Base-Backbone interact. energy: -0.234 local terms energy: -371.050427 where: bonds (distance) C4'-P energy: -75.523 bonds (distance) P-C4' energy: -62.026 flat angles C4'-P-C4' energy: -71.818 flat angles P-C4'-P energy: -54.589 tors. eta vs tors. theta energy: -107.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1015.159286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.159286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.159286 (E_RNA) where: Base-Base interactions energy: -661.360 where: short stacking energy: -318.335 Base-Backbone interact. energy: -1.526 local terms energy: -352.273392 where: bonds (distance) C4'-P energy: -71.062 bonds (distance) P-C4' energy: -63.213 flat angles C4'-P-C4' energy: -81.233 flat angles P-C4'-P energy: -50.106 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: 3, replica: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -969.197966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.197966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.197966 (E_RNA) where: Base-Base interactions energy: -626.917 where: short stacking energy: -305.049 Base-Backbone interact. energy: -0.856 local terms energy: -341.424722 where: bonds (distance) C4'-P energy: -73.086 bonds (distance) P-C4' energy: -63.145 flat angles C4'-P-C4' energy: -75.335 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: -82.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1005.556005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.556005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.556005 (E_RNA) where: Base-Base interactions energy: -690.848 where: short stacking energy: -303.392 Base-Backbone interact. energy: -1.335 local terms energy: -313.373954 where: bonds (distance) C4'-P energy: -66.156 bonds (distance) P-C4' energy: -59.848 flat angles C4'-P-C4' energy: -56.210 flat angles P-C4'-P energy: -44.298 tors. eta vs tors. theta energy: -86.863 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: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -882.597998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.597998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.597998 (E_RNA) where: Base-Base interactions energy: -566.875 where: short stacking energy: -262.370 Base-Backbone interact. energy: -0.982 local terms energy: -314.740960 where: bonds (distance) C4'-P energy: -66.654 bonds (distance) P-C4' energy: -67.511 flat angles C4'-P-C4' energy: -67.268 flat angles P-C4'-P energy: -47.073 tors. eta vs tors. theta energy: -66.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -731.132885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.132885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.132885 (E_RNA) where: Base-Base interactions energy: -459.265 where: short stacking energy: -225.968 Base-Backbone interact. energy: -2.555 local terms energy: -269.312620 where: bonds (distance) C4'-P energy: -59.514 bonds (distance) P-C4' energy: -65.964 flat angles C4'-P-C4' energy: -55.092 flat angles P-C4'-P energy: -41.754 tors. eta vs tors. theta energy: -46.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -610.742941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.742941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.742941 (E_RNA) where: Base-Base interactions energy: -332.310 where: short stacking energy: -187.521 Base-Backbone interact. energy: -1.102 local terms energy: -277.331672 where: bonds (distance) C4'-P energy: -67.718 bonds (distance) P-C4' energy: -66.078 flat angles C4'-P-C4' energy: -62.328 flat angles P-C4'-P energy: -42.833 tors. eta vs tors. theta energy: -38.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -594.350617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.350617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.350617 (E_RNA) where: Base-Base interactions energy: -347.083 where: short stacking energy: -174.269 Base-Backbone interact. energy: -0.359 local terms energy: -246.908053 where: bonds (distance) C4'-P energy: -63.942 bonds (distance) P-C4' energy: -58.189 flat angles C4'-P-C4' energy: -64.445 flat angles P-C4'-P energy: -24.587 tors. eta vs tors. theta energy: -35.745 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: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -368.192540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.192540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.192540 (E_RNA) where: Base-Base interactions energy: -167.856 where: short stacking energy: -102.060 Base-Backbone interact. energy: 6.287 local terms energy: -206.623246 where: bonds (distance) C4'-P energy: -59.595 bonds (distance) P-C4' energy: -59.538 flat angles C4'-P-C4' energy: -52.985 flat angles P-C4'-P energy: -29.195 tors. eta vs tors. theta energy: -5.310 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: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -284.174749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.174749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.174749 (E_RNA) where: Base-Base interactions energy: -95.995 where: short stacking energy: -82.552 Base-Backbone interact. energy: -1.491 local terms energy: -186.688714 where: bonds (distance) C4'-P energy: -55.976 bonds (distance) P-C4' energy: -58.081 flat angles C4'-P-C4' energy: -51.128 flat angles P-C4'-P energy: -30.204 tors. eta vs tors. theta energy: 8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1175.072472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.072472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.072472 (E_RNA) where: Base-Base interactions energy: -803.399 where: short stacking energy: -369.301 Base-Backbone interact. energy: 0.172 local terms energy: -371.845534 where: bonds (distance) C4'-P energy: -64.387 bonds (distance) P-C4' energy: -71.499 flat angles C4'-P-C4' energy: -78.503 flat angles P-C4'-P energy: -47.105 tors. eta vs tors. theta energy: -110.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1024.604216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.604216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.604216 (E_RNA) where: Base-Base interactions energy: -688.156 where: short stacking energy: -326.191 Base-Backbone interact. energy: -1.410 local terms energy: -335.038403 where: bonds (distance) C4'-P energy: -62.759 bonds (distance) P-C4' energy: -66.155 flat angles C4'-P-C4' energy: -81.471 flat angles P-C4'-P energy: -42.964 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: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1027.727804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.727804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.727804 (E_RNA) where: Base-Base interactions energy: -703.408 where: short stacking energy: -310.534 Base-Backbone interact. energy: -0.048 local terms energy: -324.272115 where: bonds (distance) C4'-P energy: -67.239 bonds (distance) P-C4' energy: -64.529 flat angles C4'-P-C4' energy: -66.848 flat angles P-C4'-P energy: -48.407 tors. eta vs tors. theta energy: -77.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -950.764984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.764984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.764984 (E_RNA) where: Base-Base interactions energy: -622.376 where: short stacking energy: -296.756 Base-Backbone interact. energy: 1.455 local terms energy: -329.844492 where: bonds (distance) C4'-P energy: -65.574 bonds (distance) P-C4' energy: -68.672 flat angles C4'-P-C4' energy: -71.411 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -79.633 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: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -823.731565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.731565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.731565 (E_RNA) where: Base-Base interactions energy: -540.035 where: short stacking energy: -252.561 Base-Backbone interact. energy: -0.244 local terms energy: -283.452937 where: bonds (distance) C4'-P energy: -61.840 bonds (distance) P-C4' energy: -51.239 flat angles C4'-P-C4' energy: -63.549 flat angles P-C4'-P energy: -42.813 tors. eta vs tors. theta energy: -64.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -780.148108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.148108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.148108 (E_RNA) where: Base-Base interactions energy: -512.249 where: short stacking energy: -238.431 Base-Backbone interact. energy: 1.238 local terms energy: -269.137370 where: bonds (distance) C4'-P energy: -46.624 bonds (distance) P-C4' energy: -62.763 flat angles C4'-P-C4' energy: -64.652 flat angles P-C4'-P energy: -47.716 tors. eta vs tors. theta energy: -47.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -610.580272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.580272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.580272 (E_RNA) where: Base-Base interactions energy: -360.001 where: short stacking energy: -184.227 Base-Backbone interact. energy: -0.730 local terms energy: -249.849609 where: bonds (distance) C4'-P energy: -63.126 bonds (distance) P-C4' energy: -65.433 flat angles C4'-P-C4' energy: -52.842 flat angles P-C4'-P energy: -44.681 tors. eta vs tors. theta energy: -23.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -647.432393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.432393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.432393 (E_RNA) where: Base-Base interactions energy: -413.520 where: short stacking energy: -202.559 Base-Backbone interact. energy: -0.378 local terms energy: -233.534496 where: bonds (distance) C4'-P energy: -43.188 bonds (distance) P-C4' energy: -65.418 flat angles C4'-P-C4' energy: -63.668 flat angles P-C4'-P energy: -34.517 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: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -417.915683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.915683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.915683 (E_RNA) where: Base-Base interactions energy: -215.685 where: short stacking energy: -112.318 Base-Backbone interact. energy: 1.795 local terms energy: -204.024935 where: bonds (distance) C4'-P energy: -56.752 bonds (distance) P-C4' energy: -64.781 flat angles C4'-P-C4' energy: -50.329 flat angles P-C4'-P energy: -26.248 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -335.802224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.802224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.802224 (E_RNA) where: Base-Base interactions energy: -150.633 where: short stacking energy: -92.703 Base-Backbone interact. energy: -2.429 local terms energy: -182.740993 where: bonds (distance) C4'-P energy: -54.602 bonds (distance) P-C4' energy: -53.669 flat angles C4'-P-C4' energy: -50.427 flat angles P-C4'-P energy: -26.906 tors. eta vs tors. theta energy: 2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1176.425922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.425922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.425922 (E_RNA) where: Base-Base interactions energy: -793.236 where: short stacking energy: -349.424 Base-Backbone interact. energy: -0.476 local terms energy: -382.713323 where: bonds (distance) C4'-P energy: -68.138 bonds (distance) P-C4' energy: -66.228 flat angles C4'-P-C4' energy: -82.204 flat angles P-C4'-P energy: -58.575 tors. eta vs tors. theta energy: -107.569 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: 281 Temperature: 0.950000 Total energy: -1034.497070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.497070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.497070 (E_RNA) where: Base-Base interactions energy: -692.767 where: short stacking energy: -324.617 Base-Backbone interact. energy: -1.989 local terms energy: -339.740748 where: bonds (distance) C4'-P energy: -64.798 bonds (distance) P-C4' energy: -62.042 flat angles C4'-P-C4' energy: -72.851 flat angles P-C4'-P energy: -44.485 tors. eta vs tors. theta energy: -95.565 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: 281 Temperature: 1.000000 Total energy: -1020.861935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.861935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.861935 (E_RNA) where: Base-Base interactions energy: -691.401 where: short stacking energy: -308.759 Base-Backbone interact. energy: 3.995 local terms energy: -333.455275 where: bonds (distance) C4'-P energy: -55.967 bonds (distance) P-C4' energy: -66.065 flat angles C4'-P-C4' energy: -71.903 flat angles P-C4'-P energy: -54.691 tors. eta vs tors. theta energy: -84.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -942.811624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.811624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.811624 (E_RNA) where: Base-Base interactions energy: -610.083 where: short stacking energy: -291.769 Base-Backbone interact. energy: -0.842 local terms energy: -331.887490 where: bonds (distance) C4'-P energy: -61.170 bonds (distance) P-C4' energy: -64.855 flat angles C4'-P-C4' energy: -71.259 flat angles P-C4'-P energy: -50.459 tors. eta vs tors. theta energy: -84.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -816.974812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.974812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.974812 (E_RNA) where: Base-Base interactions energy: -544.986 where: short stacking energy: -246.695 Base-Backbone interact. energy: -1.607 local terms energy: -270.382099 where: bonds (distance) C4'-P energy: -40.043 bonds (distance) P-C4' energy: -63.680 flat angles C4'-P-C4' energy: -73.228 flat angles P-C4'-P energy: -40.013 tors. eta vs tors. theta energy: -53.418 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: 9 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -773.746257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.746257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.746257 (E_RNA) where: Base-Base interactions energy: -495.764 where: short stacking energy: -235.923 Base-Backbone interact. energy: -0.951 local terms energy: -277.031629 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -58.284 flat angles C4'-P-C4' energy: -63.675 flat angles P-C4'-P energy: -43.834 tors. eta vs tors. theta energy: -54.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -620.839401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.839401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.839401 (E_RNA) where: Base-Base interactions energy: -386.957 where: short stacking energy: -184.982 Base-Backbone interact. energy: -1.560 local terms energy: -232.322969 where: bonds (distance) C4'-P energy: -41.546 bonds (distance) P-C4' energy: -74.917 flat angles C4'-P-C4' energy: -50.352 flat angles P-C4'-P energy: -31.012 tors. eta vs tors. theta energy: -34.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -648.564524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.564524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.564524 (E_RNA) where: Base-Base interactions energy: -394.911 where: short stacking energy: -210.398 Base-Backbone interact. energy: 0.177 local terms energy: -253.831070 where: bonds (distance) C4'-P energy: -44.095 bonds (distance) P-C4' energy: -63.034 flat angles C4'-P-C4' energy: -57.568 flat angles P-C4'-P energy: -35.268 tors. eta vs tors. theta energy: -53.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -459.925638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.925638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.925638 (E_RNA) where: Base-Base interactions energy: -249.979 where: short stacking energy: -127.177 Base-Backbone interact. energy: 0.862 local terms energy: -210.809087 where: bonds (distance) C4'-P energy: -64.397 bonds (distance) P-C4' energy: -52.214 flat angles C4'-P-C4' energy: -49.071 flat angles P-C4'-P energy: -41.505 tors. eta vs tors. theta energy: -3.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -333.935286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.935286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.935286 (E_RNA) where: Base-Base interactions energy: -150.894 where: short stacking energy: -87.500 Base-Backbone interact. energy: 1.418 local terms energy: -184.458825 where: bonds (distance) C4'-P energy: -48.750 bonds (distance) P-C4' energy: -65.626 flat angles C4'-P-C4' energy: -53.742 flat angles P-C4'-P energy: -32.912 tors. eta vs tors. theta energy: 16.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1175.633372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.633372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.633372 (E_RNA) where: Base-Base interactions energy: -798.790 where: short stacking energy: -367.675 Base-Backbone interact. energy: -0.769 local terms energy: -376.073600 where: bonds (distance) C4'-P energy: -67.329 bonds (distance) P-C4' energy: -73.066 flat angles C4'-P-C4' energy: -78.324 flat angles P-C4'-P energy: -45.261 tors. eta vs tors. theta energy: -112.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1023.165012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.165012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.165012 (E_RNA) where: Base-Base interactions energy: -678.007 where: short stacking energy: -319.872 Base-Backbone interact. energy: -0.310 local terms energy: -344.848395 where: bonds (distance) C4'-P energy: -75.381 bonds (distance) P-C4' energy: -67.018 flat angles C4'-P-C4' energy: -76.309 flat angles P-C4'-P energy: -45.799 tors. eta vs tors. theta energy: -80.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1016.304149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.304149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.304149 (E_RNA) where: Base-Base interactions energy: -673.155 where: short stacking energy: -304.557 Base-Backbone interact. energy: -2.795 local terms energy: -340.354332 where: bonds (distance) C4'-P energy: -70.007 bonds (distance) P-C4' energy: -64.111 flat angles C4'-P-C4' energy: -71.923 flat angles P-C4'-P energy: -44.638 tors. eta vs tors. theta energy: -89.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -931.220265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.220265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.220265 (E_RNA) where: Base-Base interactions energy: -628.630 where: short stacking energy: -299.985 Base-Backbone interact. energy: -1.441 local terms energy: -301.149407 where: bonds (distance) C4'-P energy: -54.779 bonds (distance) P-C4' energy: -52.373 flat angles C4'-P-C4' energy: -71.147 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -79.565 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: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -810.123628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.123628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.123628 (E_RNA) where: Base-Base interactions energy: -551.326 where: short stacking energy: -250.438 Base-Backbone interact. energy: -2.713 local terms energy: -256.084427 where: bonds (distance) C4'-P energy: -43.347 bonds (distance) P-C4' energy: -62.153 flat angles C4'-P-C4' energy: -60.362 flat angles P-C4'-P energy: -38.883 tors. eta vs tors. theta energy: -51.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -834.535845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.535845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.535845 (E_RNA) where: Base-Base interactions energy: -530.888 where: short stacking energy: -273.495 Base-Backbone interact. energy: -2.307 local terms energy: -301.340765 where: bonds (distance) C4'-P energy: -61.264 bonds (distance) P-C4' energy: -66.448 flat angles C4'-P-C4' energy: -69.213 flat angles P-C4'-P energy: -42.249 tors. eta vs tors. theta energy: -62.167 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: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -654.209790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.209790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.209790 (E_RNA) where: Base-Base interactions energy: -414.806 where: short stacking energy: -194.503 Base-Backbone interact. energy: -1.165 local terms energy: -238.238399 where: bonds (distance) C4'-P energy: -48.983 bonds (distance) P-C4' energy: -63.211 flat angles C4'-P-C4' energy: -67.075 flat angles P-C4'-P energy: -32.204 tors. eta vs tors. theta energy: -26.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -601.758982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.758982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.758982 (E_RNA) where: Base-Base interactions energy: -358.295 where: short stacking energy: -182.655 Base-Backbone interact. energy: 0.747 local terms energy: -244.210305 where: bonds (distance) C4'-P energy: -63.882 bonds (distance) P-C4' energy: -63.810 flat angles C4'-P-C4' energy: -51.889 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: -32.295 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: 282 Temperature: 1.300000 Total energy: -476.004792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.004792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.004792 (E_RNA) where: Base-Base interactions energy: -279.403 where: short stacking energy: -155.864 Base-Backbone interact. energy: 1.112 local terms energy: -197.713354 where: bonds (distance) C4'-P energy: -60.495 bonds (distance) P-C4' energy: -59.630 flat angles C4'-P-C4' energy: -43.450 flat angles P-C4'-P energy: -28.699 tors. eta vs tors. theta energy: -5.439 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: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -358.335600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.335600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.335600 (E_RNA) where: Base-Base interactions energy: -200.759 where: short stacking energy: -123.178 Base-Backbone interact. energy: 0.226 local terms energy: -157.802253 where: bonds (distance) C4'-P energy: -36.396 bonds (distance) P-C4' energy: -53.097 flat angles C4'-P-C4' energy: -53.516 flat angles P-C4'-P energy: -24.606 tors. eta vs tors. theta energy: 9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1166.244316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.244316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.244316 (E_RNA) where: Base-Base interactions energy: -797.184 where: short stacking energy: -379.588 Base-Backbone interact. energy: -1.108 local terms energy: -367.952089 where: bonds (distance) C4'-P energy: -72.072 bonds (distance) P-C4' energy: -59.446 flat angles C4'-P-C4' energy: -81.569 flat angles P-C4'-P energy: -46.407 tors. eta vs tors. theta energy: -108.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1044.829079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.829079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.829079 (E_RNA) where: Base-Base interactions energy: -710.057 where: short stacking energy: -313.887 Base-Backbone interact. energy: 0.687 local terms energy: -335.459237 where: bonds (distance) C4'-P energy: -65.164 bonds (distance) P-C4' energy: -67.194 flat angles C4'-P-C4' energy: -73.929 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -81.905 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: 283 Temperature: 1.000000 Total energy: -1018.465873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.465873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.465873 (E_RNA) where: Base-Base interactions energy: -670.129 where: short stacking energy: -328.212 Base-Backbone interact. energy: -2.262 local terms energy: -346.074447 where: bonds (distance) C4'-P energy: -77.054 bonds (distance) P-C4' energy: -61.510 flat angles C4'-P-C4' energy: -76.968 flat angles P-C4'-P energy: -45.605 tors. eta vs tors. theta energy: -84.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1010.733440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.733440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.733440 (E_RNA) where: Base-Base interactions energy: -659.170 where: short stacking energy: -320.469 Base-Backbone interact. energy: 0.247 local terms energy: -351.810536 where: bonds (distance) C4'-P energy: -64.183 bonds (distance) P-C4' energy: -60.743 flat angles C4'-P-C4' energy: -78.350 flat angles P-C4'-P energy: -53.332 tors. eta vs tors. theta energy: -95.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -784.624573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.624573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.624573 (E_RNA) where: Base-Base interactions energy: -516.523 where: short stacking energy: -215.746 Base-Backbone interact. energy: -1.033 local terms energy: -267.068731 where: bonds (distance) C4'-P energy: -53.775 bonds (distance) P-C4' energy: -61.307 flat angles C4'-P-C4' energy: -64.783 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -42.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -807.780784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.780784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.780784 (E_RNA) where: Base-Base interactions energy: -520.842 where: short stacking energy: -254.345 Base-Backbone interact. energy: 1.069 local terms energy: -288.007964 where: bonds (distance) C4'-P energy: -71.270 bonds (distance) P-C4' energy: -53.815 flat angles C4'-P-C4' energy: -58.974 flat angles P-C4'-P energy: -39.835 tors. eta vs tors. theta energy: -64.114 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: 283 Temperature: 1.200000 Total energy: -668.430514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.430514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.430514 (E_RNA) where: Base-Base interactions energy: -421.529 where: short stacking energy: -236.969 Base-Backbone interact. energy: 2.048 local terms energy: -248.949396 where: bonds (distance) C4'-P energy: -50.784 bonds (distance) P-C4' energy: -55.957 flat angles C4'-P-C4' energy: -61.991 flat angles P-C4'-P energy: -41.400 tors. eta vs tors. theta energy: -38.818 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: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -621.007230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.007230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.007230 (E_RNA) where: Base-Base interactions energy: -376.710 where: short stacking energy: -180.182 Base-Backbone interact. energy: -0.944 local terms energy: -243.353447 where: bonds (distance) C4'-P energy: -58.917 bonds (distance) P-C4' energy: -59.088 flat angles C4'-P-C4' energy: -53.616 flat angles P-C4'-P energy: -40.190 tors. eta vs tors. theta energy: -31.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -522.816588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.816588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.816588 (E_RNA) where: Base-Base interactions energy: -297.543 where: short stacking energy: -143.927 Base-Backbone interact. energy: -1.024 local terms energy: -224.248642 where: bonds (distance) C4'-P energy: -57.333 bonds (distance) P-C4' energy: -61.166 flat angles C4'-P-C4' energy: -47.892 flat angles P-C4'-P energy: -31.227 tors. eta vs tors. theta energy: -26.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -339.335205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.335205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.335205 (E_RNA) where: Base-Base interactions energy: -168.918 where: short stacking energy: -112.277 Base-Backbone interact. energy: 1.472 local terms energy: -171.888765 where: bonds (distance) C4'-P energy: -54.947 bonds (distance) P-C4' energy: -45.073 flat angles C4'-P-C4' energy: -40.856 flat angles P-C4'-P energy: -30.200 tors. eta vs tors. theta energy: -0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1183.818722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.818722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.818722 (E_RNA) where: Base-Base interactions energy: -807.496 where: short stacking energy: -387.769 Base-Backbone interact. energy: -1.144 local terms energy: -375.178024 where: bonds (distance) C4'-P energy: -65.667 bonds (distance) P-C4' energy: -72.520 flat angles C4'-P-C4' energy: -74.105 flat angles P-C4'-P energy: -53.308 tors. eta vs tors. theta energy: -109.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1055.644061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.644061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.644061 (E_RNA) where: Base-Base interactions energy: -698.564 where: short stacking energy: -325.612 Base-Backbone interact. energy: -0.109 local terms energy: -356.971544 where: bonds (distance) C4'-P energy: -68.799 bonds (distance) P-C4' energy: -71.016 flat angles C4'-P-C4' energy: -76.227 flat angles P-C4'-P energy: -53.610 tors. eta vs tors. theta energy: -87.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -984.659520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.659520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.659520 (E_RNA) where: Base-Base interactions energy: -639.056 where: short stacking energy: -318.123 Base-Backbone interact. energy: -1.214 local terms energy: -344.389512 where: bonds (distance) C4'-P energy: -72.938 bonds (distance) P-C4' energy: -62.257 flat angles C4'-P-C4' energy: -81.242 flat angles P-C4'-P energy: -48.629 tors. eta vs tors. theta energy: -79.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -942.708430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.708430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.708430 (E_RNA) where: Base-Base interactions energy: -637.819 where: short stacking energy: -297.266 Base-Backbone interact. energy: 1.023 local terms energy: -305.911995 where: bonds (distance) C4'-P energy: -63.104 bonds (distance) P-C4' energy: -51.867 flat angles C4'-P-C4' energy: -66.812 flat angles P-C4'-P energy: -44.862 tors. eta vs tors. theta energy: -79.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -809.982957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.982957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.982957 (E_RNA) where: Base-Base interactions energy: -523.728 where: short stacking energy: -260.612 Base-Backbone interact. energy: 0.873 local terms energy: -287.127366 where: bonds (distance) C4'-P energy: -63.744 bonds (distance) P-C4' energy: -72.406 flat angles C4'-P-C4' energy: -65.771 flat angles P-C4'-P energy: -33.136 tors. eta vs tors. theta energy: -52.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -787.874250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.874250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.874250 (E_RNA) where: Base-Base interactions energy: -492.548 where: short stacking energy: -244.088 Base-Backbone interact. energy: -2.219 local terms energy: -293.107206 where: bonds (distance) C4'-P energy: -65.926 bonds (distance) P-C4' energy: -70.063 flat angles C4'-P-C4' energy: -55.147 flat angles P-C4'-P energy: -43.246 tors. eta vs tors. theta energy: -58.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -700.784880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.784880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.784880 (E_RNA) where: Base-Base interactions energy: -434.058 where: short stacking energy: -226.728 Base-Backbone interact. energy: 4.284 local terms energy: -271.010238 where: bonds (distance) C4'-P energy: -64.433 bonds (distance) P-C4' energy: -49.491 flat angles C4'-P-C4' energy: -64.389 flat angles P-C4'-P energy: -37.530 tors. eta vs tors. theta energy: -55.168 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: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -613.851775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.851775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.851775 (E_RNA) where: Base-Base interactions energy: -372.593 where: short stacking energy: -176.533 Base-Backbone interact. energy: -0.635 local terms energy: -240.623944 where: bonds (distance) C4'-P energy: -43.659 bonds (distance) P-C4' energy: -67.038 flat angles C4'-P-C4' energy: -63.522 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -29.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -482.813667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.813667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.813667 (E_RNA) where: Base-Base interactions energy: -274.690 where: short stacking energy: -141.447 Base-Backbone interact. energy: 2.275 local terms energy: -210.397884 where: bonds (distance) C4'-P energy: -58.580 bonds (distance) P-C4' energy: -45.668 flat angles C4'-P-C4' energy: -54.098 flat angles P-C4'-P energy: -37.886 tors. eta vs tors. theta energy: -14.166 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: 284 Temperature: 1.350000 Total energy: -313.428250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.428250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.428250 (E_RNA) where: Base-Base interactions energy: -133.374 where: short stacking energy: -77.455 Base-Backbone interact. energy: 3.250 local terms energy: -183.304199 where: bonds (distance) C4'-P energy: -43.689 bonds (distance) P-C4' energy: -64.431 flat angles C4'-P-C4' energy: -56.656 flat angles P-C4'-P energy: -30.552 tors. eta vs tors. theta energy: 12.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1177.720486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.720486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.720486 (E_RNA) where: Base-Base interactions energy: -791.843 where: short stacking energy: -369.240 Base-Backbone interact. energy: -0.229 local terms energy: -385.648581 where: bonds (distance) C4'-P energy: -71.394 bonds (distance) P-C4' energy: -80.333 flat angles C4'-P-C4' energy: -78.215 flat angles P-C4'-P energy: -46.907 tors. eta vs tors. theta energy: -108.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1054.724805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.724805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.724805 (E_RNA) where: Base-Base interactions energy: -684.552 where: short stacking energy: -321.308 Base-Backbone interact. energy: -2.731 local terms energy: -367.442017 where: bonds (distance) C4'-P energy: -65.951 bonds (distance) P-C4' energy: -70.587 flat angles C4'-P-C4' energy: -82.669 flat angles P-C4'-P energy: -58.801 tors. eta vs tors. theta energy: -89.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -990.402710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.402710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.402710 (E_RNA) where: Base-Base interactions energy: -644.514 where: short stacking energy: -308.496 Base-Backbone interact. energy: -1.197 local terms energy: -344.691537 where: bonds (distance) C4'-P energy: -63.254 bonds (distance) P-C4' energy: -61.503 flat angles C4'-P-C4' energy: -77.600 flat angles P-C4'-P energy: -53.132 tors. eta vs tors. theta energy: -89.203 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: 4, replica: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -977.947698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.947698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.947698 (E_RNA) where: Base-Base interactions energy: -659.870 where: short stacking energy: -295.539 Base-Backbone interact. energy: -1.714 local terms energy: -316.363362 where: bonds (distance) C4'-P energy: -67.005 bonds (distance) P-C4' energy: -65.513 flat angles C4'-P-C4' energy: -61.869 flat angles P-C4'-P energy: -42.422 tors. eta vs tors. theta energy: -79.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -847.201208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.201208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.201208 (E_RNA) where: Base-Base interactions energy: -556.872 where: short stacking energy: -261.925 Base-Backbone interact. energy: -0.512 local terms energy: -289.816988 where: bonds (distance) C4'-P energy: -59.249 bonds (distance) P-C4' energy: -69.383 flat angles C4'-P-C4' energy: -70.508 flat angles P-C4'-P energy: -36.291 tors. eta vs tors. theta energy: -54.386 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: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -736.591081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.591081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.591081 (E_RNA) where: Base-Base interactions energy: -453.192 where: short stacking energy: -247.693 Base-Backbone interact. energy: 0.451 local terms energy: -283.850571 where: bonds (distance) C4'-P energy: -59.802 bonds (distance) P-C4' energy: -58.516 flat angles C4'-P-C4' energy: -59.523 flat angles P-C4'-P energy: -47.761 tors. eta vs tors. theta energy: -58.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -764.708098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.708098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.708098 (E_RNA) where: Base-Base interactions energy: -477.042 where: short stacking energy: -234.690 Base-Backbone interact. energy: -0.600 local terms energy: -287.066069 where: bonds (distance) C4'-P energy: -57.370 bonds (distance) P-C4' energy: -63.503 flat angles C4'-P-C4' energy: -68.631 flat angles P-C4'-P energy: -42.490 tors. eta vs tors. theta energy: -55.072 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: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -653.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.107694 (E_RNA) where: Base-Base interactions energy: -387.560 where: short stacking energy: -193.596 Base-Backbone interact. energy: -0.056 local terms energy: -265.491784 where: bonds (distance) C4'-P energy: -52.362 bonds (distance) P-C4' energy: -56.061 flat angles C4'-P-C4' energy: -66.628 flat angles P-C4'-P energy: -39.334 tors. eta vs tors. theta energy: -51.108 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: 9, replica: 2 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -481.976873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.976873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.976873 (E_RNA) where: Base-Base interactions energy: -273.007 where: short stacking energy: -146.831 Base-Backbone interact. energy: 2.077 local terms energy: -211.046019 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -53.236 flat angles C4'-P-C4' energy: -59.022 flat angles P-C4'-P energy: -25.041 tors. eta vs tors. theta energy: -20.675 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: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -274.677119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.677119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.677119 (E_RNA) where: Base-Base interactions energy: -66.456 where: short stacking energy: -62.051 Base-Backbone interact. energy: -1.144 local terms energy: -207.077210 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -69.277 flat angles C4'-P-C4' energy: -47.875 flat angles P-C4'-P energy: -35.227 tors. eta vs tors. theta energy: 5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1188.308947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.308947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.308947 (E_RNA) where: Base-Base interactions energy: -803.551 where: short stacking energy: -373.831 Base-Backbone interact. energy: -0.394 local terms energy: -384.363676 where: bonds (distance) C4'-P energy: -64.092 bonds (distance) P-C4' energy: -71.107 flat angles C4'-P-C4' energy: -86.900 flat angles P-C4'-P energy: -51.376 tors. eta vs tors. theta energy: -110.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1084.071542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.071542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.071542 (E_RNA) where: Base-Base interactions energy: -726.925 where: short stacking energy: -347.369 Base-Backbone interact. energy: -1.469 local terms energy: -355.677611 where: bonds (distance) C4'-P energy: -65.893 bonds (distance) P-C4' energy: -70.716 flat angles C4'-P-C4' energy: -76.224 flat angles P-C4'-P energy: -47.808 tors. eta vs tors. theta energy: -95.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1022.487344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.487344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.487344 (E_RNA) where: Base-Base interactions energy: -662.407 where: short stacking energy: -322.171 Base-Backbone interact. energy: -1.756 local terms energy: -358.323809 where: bonds (distance) C4'-P energy: -66.788 bonds (distance) P-C4' energy: -72.333 flat angles C4'-P-C4' energy: -69.834 flat angles P-C4'-P energy: -57.212 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: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -973.791286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.791286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.791286 (E_RNA) where: Base-Base interactions energy: -650.257 where: short stacking energy: -306.087 Base-Backbone interact. energy: -1.988 local terms energy: -321.546544 where: bonds (distance) C4'-P energy: -63.547 bonds (distance) P-C4' energy: -68.483 flat angles C4'-P-C4' energy: -59.029 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -85.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -889.991963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.991963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.991963 (E_RNA) where: Base-Base interactions energy: -588.650 where: short stacking energy: -293.622 Base-Backbone interact. energy: -0.574 local terms energy: -300.767853 where: bonds (distance) C4'-P energy: -65.059 bonds (distance) P-C4' energy: -52.774 flat angles C4'-P-C4' energy: -70.849 flat angles P-C4'-P energy: -35.712 tors. eta vs tors. theta energy: -76.373 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: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -750.583392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.583392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.583392 (E_RNA) where: Base-Base interactions energy: -471.753 where: short stacking energy: -248.128 Base-Backbone interact. energy: -1.340 local terms energy: -277.490797 where: bonds (distance) C4'-P energy: -54.944 bonds (distance) P-C4' energy: -65.365 flat angles C4'-P-C4' energy: -64.530 flat angles P-C4'-P energy: -41.985 tors. eta vs tors. theta energy: -50.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -701.433793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.433793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.433793 (E_RNA) where: Base-Base interactions energy: -444.795 where: short stacking energy: -210.455 Base-Backbone interact. energy: -0.330 local terms energy: -256.308288 where: bonds (distance) C4'-P energy: -62.943 bonds (distance) P-C4' energy: -69.779 flat angles C4'-P-C4' energy: -54.706 flat angles P-C4'-P energy: -33.110 tors. eta vs tors. theta energy: -35.770 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: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -630.259346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.259346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.259346 (E_RNA) where: Base-Base interactions energy: -388.825 where: short stacking energy: -181.509 Base-Backbone interact. energy: -1.545 local terms energy: -239.889741 where: bonds (distance) C4'-P energy: -52.987 bonds (distance) P-C4' energy: -61.626 flat angles C4'-P-C4' energy: -59.493 flat angles P-C4'-P energy: -37.070 tors. eta vs tors. theta energy: -28.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -523.239898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.239898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.239898 (E_RNA) where: Base-Base interactions energy: -314.937 where: short stacking energy: -128.127 Base-Backbone interact. energy: 2.258 local terms energy: -210.561016 where: bonds (distance) C4'-P energy: -49.260 bonds (distance) P-C4' energy: -50.074 flat angles C4'-P-C4' energy: -66.878 flat angles P-C4'-P energy: -23.874 tors. eta vs tors. theta energy: -20.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -295.538160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.538160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.538160 (E_RNA) where: Base-Base interactions energy: -108.820 where: short stacking energy: -77.976 Base-Backbone interact. energy: 1.364 local terms energy: -188.082282 where: bonds (distance) C4'-P energy: -65.721 bonds (distance) P-C4' energy: -65.122 flat angles C4'-P-C4' energy: -55.666 flat angles P-C4'-P energy: -18.163 tors. eta vs tors. theta energy: 16.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1192.258816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.258816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.258816 (E_RNA) where: Base-Base interactions energy: -814.842 where: short stacking energy: -367.698 Base-Backbone interact. energy: -0.759 local terms energy: -376.657958 where: bonds (distance) C4'-P energy: -66.887 bonds (distance) P-C4' energy: -64.672 flat angles C4'-P-C4' energy: -77.087 flat angles P-C4'-P energy: -56.485 tors. eta vs tors. theta energy: -111.526 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: 4 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1068.865343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.865343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.865343 (E_RNA) where: Base-Base interactions energy: -702.755 where: short stacking energy: -321.361 Base-Backbone interact. energy: 1.084 local terms energy: -367.194572 where: bonds (distance) C4'-P energy: -69.837 bonds (distance) P-C4' energy: -71.854 flat angles C4'-P-C4' energy: -78.388 flat angles P-C4'-P energy: -51.565 tors. eta vs tors. theta energy: -95.550 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: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1015.388678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.388678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.388678 (E_RNA) where: Base-Base interactions energy: -659.094 where: short stacking energy: -310.882 Base-Backbone interact. energy: -0.977 local terms energy: -355.317881 where: bonds (distance) C4'-P energy: -73.334 bonds (distance) P-C4' energy: -69.343 flat angles C4'-P-C4' energy: -70.965 flat angles P-C4'-P energy: -45.793 tors. eta vs tors. theta energy: -95.884 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: 287 Temperature: 1.050000 Total energy: -967.592487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.592487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.592487 (E_RNA) where: Base-Base interactions energy: -637.449 where: short stacking energy: -297.803 Base-Backbone interact. energy: -2.160 local terms energy: -327.983619 where: bonds (distance) C4'-P energy: -67.700 bonds (distance) P-C4' energy: -73.895 flat angles C4'-P-C4' energy: -58.321 flat angles P-C4'-P energy: -47.449 tors. eta vs tors. theta energy: -80.619 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: 287 Temperature: 1.100000 Total energy: -805.891211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.891211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.891211 (E_RNA) where: Base-Base interactions energy: -514.671 where: short stacking energy: -236.728 Base-Backbone interact. energy: 1.416 local terms energy: -292.636107 where: bonds (distance) C4'-P energy: -63.091 bonds (distance) P-C4' energy: -64.871 flat angles C4'-P-C4' energy: -74.554 flat angles P-C4'-P energy: -39.860 tors. eta vs tors. theta energy: -50.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -776.831917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.831917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.831917 (E_RNA) where: Base-Base interactions energy: -475.092 where: short stacking energy: -257.723 Base-Backbone interact. energy: 1.761 local terms energy: -303.500412 where: bonds (distance) C4'-P energy: -58.288 bonds (distance) P-C4' energy: -55.022 flat angles C4'-P-C4' energy: -67.795 flat angles P-C4'-P energy: -50.247 tors. eta vs tors. theta energy: -72.148 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: 5 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -647.173790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.173790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.173790 (E_RNA) where: Base-Base interactions energy: -399.036 where: short stacking energy: -193.562 Base-Backbone interact. energy: 0.865 local terms energy: -249.002383 where: bonds (distance) C4'-P energy: -58.986 bonds (distance) P-C4' energy: -60.410 flat angles C4'-P-C4' energy: -62.118 flat angles P-C4'-P energy: -31.430 tors. eta vs tors. theta energy: -36.058 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: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -625.001566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.001566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.001566 (E_RNA) where: Base-Base interactions energy: -368.757 where: short stacking energy: -179.700 Base-Backbone interact. energy: -0.648 local terms energy: -255.597069 where: bonds (distance) C4'-P energy: -52.665 bonds (distance) P-C4' energy: -62.800 flat angles C4'-P-C4' energy: -65.392 flat angles P-C4'-P energy: -42.847 tors. eta vs tors. theta energy: -31.894 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: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -571.422058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.422058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.422058 (E_RNA) where: Base-Base interactions energy: -346.863 where: short stacking energy: -161.062 Base-Backbone interact. energy: -0.824 local terms energy: -223.735875 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -52.901 flat angles C4'-P-C4' energy: -56.278 flat angles P-C4'-P energy: -27.374 tors. eta vs tors. theta energy: -25.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -275.607198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.607198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.607198 (E_RNA) where: Base-Base interactions energy: -94.850 where: short stacking energy: -83.855 Base-Backbone interact. energy: -1.772 local terms energy: -178.985198 where: bonds (distance) C4'-P energy: -50.074 bonds (distance) P-C4' energy: -53.296 flat angles C4'-P-C4' energy: -44.475 flat angles P-C4'-P energy: -37.114 tors. eta vs tors. theta energy: 5.974 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: 1, replica: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1157.062369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.062369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.062369 (E_RNA) where: Base-Base interactions energy: -776.991 where: short stacking energy: -354.584 Base-Backbone interact. energy: 0.064 local terms energy: -380.134995 where: bonds (distance) C4'-P energy: -66.177 bonds (distance) P-C4' energy: -74.545 flat angles C4'-P-C4' energy: -82.582 flat angles P-C4'-P energy: -53.484 tors. eta vs tors. theta energy: -103.346 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: 4 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1081.718795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.718795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.718795 (E_RNA) where: Base-Base interactions energy: -732.845 where: short stacking energy: -325.308 Base-Backbone interact. energy: -0.647 local terms energy: -348.227147 where: bonds (distance) C4'-P energy: -58.120 bonds (distance) P-C4' energy: -71.052 flat angles C4'-P-C4' energy: -76.994 flat angles P-C4'-P energy: -49.368 tors. eta vs tors. theta energy: -92.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -993.927996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.927996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.927996 (E_RNA) where: Base-Base interactions energy: -630.548 where: short stacking energy: -320.728 Base-Backbone interact. energy: -0.734 local terms energy: -362.646103 where: bonds (distance) C4'-P energy: -67.103 bonds (distance) P-C4' energy: -70.488 flat angles C4'-P-C4' energy: -78.459 flat angles P-C4'-P energy: -51.628 tors. eta vs tors. theta energy: -94.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -975.848426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.848426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.848426 (E_RNA) where: Base-Base interactions energy: -631.738 where: short stacking energy: -283.900 Base-Backbone interact. energy: -1.536 local terms energy: -342.573870 where: bonds (distance) C4'-P energy: -72.521 bonds (distance) P-C4' energy: -64.165 flat angles C4'-P-C4' energy: -77.192 flat angles P-C4'-P energy: -48.242 tors. eta vs tors. theta energy: -80.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -796.534844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.534844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.534844 (E_RNA) where: Base-Base interactions energy: -514.005 where: short stacking energy: -242.668 Base-Backbone interact. energy: -2.168 local terms energy: -280.362082 where: bonds (distance) C4'-P energy: -65.445 bonds (distance) P-C4' energy: -55.783 flat angles C4'-P-C4' energy: -65.452 flat angles P-C4'-P energy: -40.143 tors. eta vs tors. theta energy: -53.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -755.128049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.128049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.128049 (E_RNA) where: Base-Base interactions energy: -460.859 where: short stacking energy: -220.918 Base-Backbone interact. energy: -0.832 local terms energy: -293.437645 where: bonds (distance) C4'-P energy: -67.586 bonds (distance) P-C4' energy: -65.304 flat angles C4'-P-C4' energy: -62.784 flat angles P-C4'-P energy: -43.638 tors. eta vs tors. theta energy: -54.125 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: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -634.240809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.240809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.240809 (E_RNA) where: Base-Base interactions energy: -369.535 where: short stacking energy: -183.344 Base-Backbone interact. energy: 1.723 local terms energy: -266.427936 where: bonds (distance) C4'-P energy: -64.226 bonds (distance) P-C4' energy: -61.367 flat angles C4'-P-C4' energy: -61.528 flat angles P-C4'-P energy: -43.405 tors. eta vs tors. theta energy: -35.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -631.039186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.039186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.039186 (E_RNA) where: Base-Base interactions energy: -392.214 where: short stacking energy: -178.951 Base-Backbone interact. energy: 0.981 local terms energy: -239.806660 where: bonds (distance) C4'-P energy: -57.322 bonds (distance) P-C4' energy: -63.714 flat angles C4'-P-C4' energy: -58.801 flat angles P-C4'-P energy: -25.010 tors. eta vs tors. theta energy: -34.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -505.050645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.050645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.050645 (E_RNA) where: Base-Base interactions energy: -285.442 where: short stacking energy: -148.397 Base-Backbone interact. energy: 0.672 local terms energy: -220.280509 where: bonds (distance) C4'-P energy: -61.919 bonds (distance) P-C4' energy: -56.894 flat angles C4'-P-C4' energy: -50.204 flat angles P-C4'-P energy: -29.638 tors. eta vs tors. theta energy: -21.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -278.014412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.014412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.014412 (E_RNA) where: Base-Base interactions energy: -93.561 where: short stacking energy: -75.363 Base-Backbone interact. energy: 1.180 local terms energy: -185.633658 where: bonds (distance) C4'-P energy: -49.810 bonds (distance) P-C4' energy: -69.108 flat angles C4'-P-C4' energy: -41.349 flat angles P-C4'-P energy: -39.856 tors. eta vs tors. theta energy: 14.490 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: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1162.552785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.552785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.552785 (E_RNA) where: Base-Base interactions energy: -785.777 where: short stacking energy: -358.462 Base-Backbone interact. energy: -2.605 local terms energy: -374.170590 where: bonds (distance) C4'-P energy: -63.429 bonds (distance) P-C4' energy: -73.603 flat angles C4'-P-C4' energy: -77.624 flat angles P-C4'-P energy: -57.399 tors. eta vs tors. theta energy: -102.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1100.270805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.270805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.270805 (E_RNA) where: Base-Base interactions energy: -727.638 where: short stacking energy: -329.112 Base-Backbone interact. energy: -3.635 local terms energy: -368.997970 where: bonds (distance) C4'-P energy: -72.265 bonds (distance) P-C4' energy: -66.434 flat angles C4'-P-C4' energy: -78.077 flat angles P-C4'-P energy: -52.620 tors. eta vs tors. theta energy: -99.601 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: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -974.786512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.786512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.786512 (E_RNA) where: Base-Base interactions energy: -641.983 where: short stacking energy: -309.058 Base-Backbone interact. energy: -1.059 local terms energy: -331.744229 where: bonds (distance) C4'-P energy: -63.155 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -72.246 flat angles P-C4'-P energy: -44.066 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: 8 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -939.008134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.008134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.008134 (E_RNA) where: Base-Base interactions energy: -615.256 where: short stacking energy: -301.573 Base-Backbone interact. energy: 0.585 local terms energy: -324.337136 where: bonds (distance) C4'-P energy: -68.699 bonds (distance) P-C4' energy: -69.121 flat angles C4'-P-C4' energy: -65.925 flat angles P-C4'-P energy: -42.713 tors. eta vs tors. theta energy: -77.879 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: 5, replica: 9 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -831.133990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.133990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.133990 (E_RNA) where: Base-Base interactions energy: -515.028 where: short stacking energy: -241.965 Base-Backbone interact. energy: 4.917 local terms energy: -321.022707 where: bonds (distance) C4'-P energy: -61.374 bonds (distance) P-C4' energy: -65.620 flat angles C4'-P-C4' energy: -69.744 flat angles P-C4'-P energy: -53.186 tors. eta vs tors. theta energy: -71.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -748.062051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.062051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.062051 (E_RNA) where: Base-Base interactions energy: -464.319 where: short stacking energy: -224.321 Base-Backbone interact. energy: -0.357 local terms energy: -283.385532 where: bonds (distance) C4'-P energy: -64.422 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -57.239 flat angles P-C4'-P energy: -45.685 tors. eta vs tors. theta energy: -58.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -617.514959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.514959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.514959 (E_RNA) where: Base-Base interactions energy: -394.357 where: short stacking energy: -188.675 Base-Backbone interact. energy: -0.306 local terms energy: -222.851916 where: bonds (distance) C4'-P energy: -51.271 bonds (distance) P-C4' energy: -63.521 flat angles C4'-P-C4' energy: -63.760 flat angles P-C4'-P energy: -23.532 tors. eta vs tors. theta energy: -20.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -639.921879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.921879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.921879 (E_RNA) where: Base-Base interactions energy: -390.813 where: short stacking energy: -194.401 Base-Backbone interact. energy: -0.259 local terms energy: -248.850117 where: bonds (distance) C4'-P energy: -54.391 bonds (distance) P-C4' energy: -60.227 flat angles C4'-P-C4' energy: -61.516 flat angles P-C4'-P energy: -35.687 tors. eta vs tors. theta energy: -37.029 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: 2 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -508.409692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.409692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.409692 (E_RNA) where: Base-Base interactions energy: -294.177 where: short stacking energy: -137.738 Base-Backbone interact. energy: 3.738 local terms energy: -217.970378 where: bonds (distance) C4'-P energy: -51.544 bonds (distance) P-C4' energy: -56.762 flat angles C4'-P-C4' energy: -69.201 flat angles P-C4'-P energy: -28.731 tors. eta vs tors. theta energy: -11.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -296.537697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.537697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.537697 (E_RNA) where: Base-Base interactions energy: -109.583 where: short stacking energy: -82.476 Base-Backbone interact. energy: 1.344 local terms energy: -188.298448 where: bonds (distance) C4'-P energy: -51.970 bonds (distance) P-C4' energy: -63.340 flat angles C4'-P-C4' energy: -54.211 flat angles P-C4'-P energy: -26.901 tors. eta vs tors. theta energy: 8.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1142.037494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.037494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.037494 (E_RNA) where: Base-Base interactions energy: -757.236 where: short stacking energy: -351.931 Base-Backbone interact. energy: -1.048 local terms energy: -383.753152 where: bonds (distance) C4'-P energy: -71.181 bonds (distance) P-C4' energy: -74.911 flat angles C4'-P-C4' energy: -81.255 flat angles P-C4'-P energy: -55.673 tors. eta vs tors. theta energy: -100.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1093.852369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.852369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.852369 (E_RNA) where: Base-Base interactions energy: -746.608 where: short stacking energy: -343.525 Base-Backbone interact. energy: -1.722 local terms energy: -345.522129 where: bonds (distance) C4'-P energy: -60.960 bonds (distance) P-C4' energy: -55.995 flat angles C4'-P-C4' energy: -74.465 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -102.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -984.721523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.721523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.721523 (E_RNA) where: Base-Base interactions energy: -648.253 where: short stacking energy: -334.505 Base-Backbone interact. energy: 0.068 local terms energy: -336.535980 where: bonds (distance) C4'-P energy: -59.820 bonds (distance) P-C4' energy: -65.616 flat angles C4'-P-C4' energy: -73.015 flat angles P-C4'-P energy: -42.509 tors. eta vs tors. theta energy: -95.577 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: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -932.101764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.101764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.101764 (E_RNA) where: Base-Base interactions energy: -620.349 where: short stacking energy: -280.181 Base-Backbone interact. energy: -1.788 local terms energy: -309.964688 where: bonds (distance) C4'-P energy: -57.828 bonds (distance) P-C4' energy: -70.241 flat angles C4'-P-C4' energy: -72.410 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -71.828 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: 290 Temperature: 1.100000 Total energy: -854.038764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.038764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.038764 (E_RNA) where: Base-Base interactions energy: -538.148 where: short stacking energy: -251.338 Base-Backbone interact. energy: -0.838 local terms energy: -315.052555 where: bonds (distance) C4'-P energy: -69.064 bonds (distance) P-C4' energy: -66.439 flat angles C4'-P-C4' energy: -64.424 flat angles P-C4'-P energy: -50.673 tors. eta vs tors. theta energy: -64.452 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: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -752.500219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.500219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.500219 (E_RNA) where: Base-Base interactions energy: -466.811 where: short stacking energy: -247.780 Base-Backbone interact. energy: -0.278 local terms energy: -285.411360 where: bonds (distance) C4'-P energy: -60.766 bonds (distance) P-C4' energy: -58.744 flat angles C4'-P-C4' energy: -73.090 flat angles P-C4'-P energy: -25.993 tors. eta vs tors. theta energy: -66.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -681.749747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.749747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.749747 (E_RNA) where: Base-Base interactions energy: -413.315 where: short stacking energy: -211.177 Base-Backbone interact. energy: 0.535 local terms energy: -268.970265 where: bonds (distance) C4'-P energy: -62.425 bonds (distance) P-C4' energy: -56.747 flat angles C4'-P-C4' energy: -52.764 flat angles P-C4'-P energy: -48.072 tors. eta vs tors. theta energy: -48.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -565.123703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.123703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.123703 (E_RNA) where: Base-Base interactions energy: -330.272 where: short stacking energy: -159.294 Base-Backbone interact. energy: 0.050 local terms energy: -234.902254 where: bonds (distance) C4'-P energy: -49.172 bonds (distance) P-C4' energy: -68.163 flat angles C4'-P-C4' energy: -57.635 flat angles P-C4'-P energy: -36.202 tors. eta vs tors. theta energy: -23.730 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: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -509.603686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.603686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.603686 (E_RNA) where: Base-Base interactions energy: -283.183 where: short stacking energy: -146.875 Base-Backbone interact. energy: 0.053 local terms energy: -226.474318 where: bonds (distance) C4'-P energy: -57.300 bonds (distance) P-C4' energy: -62.916 flat angles C4'-P-C4' energy: -47.215 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -14.616 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: 290 Temperature: 1.350000 Total energy: -359.614008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.614008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.614008 (E_RNA) where: Base-Base interactions energy: -159.419 where: short stacking energy: -98.968 Base-Backbone interact. energy: 3.739 local terms energy: -203.933995 where: bonds (distance) C4'-P energy: -61.190 bonds (distance) P-C4' energy: -59.814 flat angles C4'-P-C4' energy: -37.018 flat angles P-C4'-P energy: -38.499 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: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1149.452472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.452472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.452472 (E_RNA) where: Base-Base interactions energy: -777.860 where: short stacking energy: -344.155 Base-Backbone interact. energy: -1.041 local terms energy: -370.551291 where: bonds (distance) C4'-P energy: -73.760 bonds (distance) P-C4' energy: -75.375 flat angles C4'-P-C4' energy: -77.373 flat angles P-C4'-P energy: -44.500 tors. eta vs tors. theta energy: -99.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1087.505584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.505584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.505584 (E_RNA) where: Base-Base interactions energy: -724.809 where: short stacking energy: -321.157 Base-Backbone interact. energy: -3.877 local terms energy: -358.819914 where: bonds (distance) C4'-P energy: -64.750 bonds (distance) P-C4' energy: -67.465 flat angles C4'-P-C4' energy: -80.115 flat angles P-C4'-P energy: -53.276 tors. eta vs tors. theta energy: -93.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -992.007191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.007191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.007191 (E_RNA) where: Base-Base interactions energy: -637.797 where: short stacking energy: -310.267 Base-Backbone interact. energy: -0.551 local terms energy: -353.659408 where: bonds (distance) C4'-P energy: -74.772 bonds (distance) P-C4' energy: -65.188 flat angles C4'-P-C4' energy: -79.586 flat angles P-C4'-P energy: -44.384 tors. eta vs tors. theta energy: -89.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -885.285597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.285597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.285597 (E_RNA) where: Base-Base interactions energy: -573.076 where: short stacking energy: -277.335 Base-Backbone interact. energy: -1.167 local terms energy: -311.042696 where: bonds (distance) C4'-P energy: -66.712 bonds (distance) P-C4' energy: -70.219 flat angles C4'-P-C4' energy: -69.001 flat angles P-C4'-P energy: -41.933 tors. eta vs tors. theta energy: -63.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -895.683505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.683505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.683505 (E_RNA) where: Base-Base interactions energy: -582.595 where: short stacking energy: -281.514 Base-Backbone interact. energy: -1.657 local terms energy: -311.431072 where: bonds (distance) C4'-P energy: -64.930 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -79.936 flat angles P-C4'-P energy: -39.543 tors. eta vs tors. theta energy: -65.642 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: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -744.241540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.241540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.241540 (E_RNA) where: Base-Base interactions energy: -465.088 where: short stacking energy: -222.391 Base-Backbone interact. energy: -0.909 local terms energy: -278.245076 where: bonds (distance) C4'-P energy: -56.335 bonds (distance) P-C4' energy: -66.125 flat angles C4'-P-C4' energy: -66.291 flat angles P-C4'-P energy: -42.919 tors. eta vs tors. theta energy: -46.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -715.568401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.568401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.568401 (E_RNA) where: Base-Base interactions energy: -452.318 where: short stacking energy: -229.180 Base-Backbone interact. energy: 1.447 local terms energy: -264.697249 where: bonds (distance) C4'-P energy: -57.954 bonds (distance) P-C4' energy: -66.062 flat angles C4'-P-C4' energy: -57.516 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -45.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -612.486818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.486818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.486818 (E_RNA) where: Base-Base interactions energy: -394.202 where: short stacking energy: -203.436 Base-Backbone interact. energy: -0.973 local terms energy: -217.312644 where: bonds (distance) C4'-P energy: -54.308 bonds (distance) P-C4' energy: -64.206 flat angles C4'-P-C4' energy: -49.759 flat angles P-C4'-P energy: -23.146 tors. eta vs tors. theta energy: -25.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -526.194548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.194548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.194548 (E_RNA) where: Base-Base interactions energy: -302.532 where: short stacking energy: -158.383 Base-Backbone interact. energy: -1.744 local terms energy: -221.918487 where: bonds (distance) C4'-P energy: -62.694 bonds (distance) P-C4' energy: -57.313 flat angles C4'-P-C4' energy: -60.733 flat angles P-C4'-P energy: -30.341 tors. eta vs tors. theta energy: -10.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -277.742023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.742023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.742023 (E_RNA) where: Base-Base interactions energy: -105.839 where: short stacking energy: -94.205 Base-Backbone interact. energy: 2.341 local terms energy: -174.244180 where: bonds (distance) C4'-P energy: -52.322 bonds (distance) P-C4' energy: -51.293 flat angles C4'-P-C4' energy: -36.312 flat angles P-C4'-P energy: -39.676 tors. eta vs tors. theta energy: 5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1133.805943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.805943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.805943 (E_RNA) where: Base-Base interactions energy: -771.487 where: short stacking energy: -355.393 Base-Backbone interact. energy: -0.329 local terms energy: -361.989991 where: bonds (distance) C4'-P energy: -70.462 bonds (distance) P-C4' energy: -77.786 flat angles C4'-P-C4' energy: -75.061 flat angles P-C4'-P energy: -38.224 tors. eta vs tors. theta energy: -100.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1086.079189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.079189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.079189 (E_RNA) where: Base-Base interactions energy: -736.035 where: short stacking energy: -328.973 Base-Backbone interact. energy: 4.856 local terms energy: -354.900667 where: bonds (distance) C4'-P energy: -67.789 bonds (distance) P-C4' energy: -67.122 flat angles C4'-P-C4' energy: -74.620 flat angles P-C4'-P energy: -57.766 tors. eta vs tors. theta energy: -87.604 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: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1005.608708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.608708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.608708 (E_RNA) where: Base-Base interactions energy: -659.604 where: short stacking energy: -327.511 Base-Backbone interact. energy: -1.063 local terms energy: -344.941850 where: bonds (distance) C4'-P energy: -58.316 bonds (distance) P-C4' energy: -62.406 flat angles C4'-P-C4' energy: -70.728 flat angles P-C4'-P energy: -55.295 tors. eta vs tors. theta energy: -98.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -900.004201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.004201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.004201 (E_RNA) where: Base-Base interactions energy: -582.945 where: short stacking energy: -267.594 Base-Backbone interact. energy: -0.528 local terms energy: -316.530488 where: bonds (distance) C4'-P energy: -55.342 bonds (distance) P-C4' energy: -74.738 flat angles C4'-P-C4' energy: -77.227 flat angles P-C4'-P energy: -46.014 tors. eta vs tors. theta energy: -63.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -896.215568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.215568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.215568 (E_RNA) where: Base-Base interactions energy: -590.566 where: short stacking energy: -282.901 Base-Backbone interact. energy: -0.615 local terms energy: -305.034067 where: bonds (distance) C4'-P energy: -63.437 bonds (distance) P-C4' energy: -58.942 flat angles C4'-P-C4' energy: -69.393 flat angles P-C4'-P energy: -44.582 tors. eta vs tors. theta energy: -68.680 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: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -742.338330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.338330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.338330 (E_RNA) where: Base-Base interactions energy: -444.307 where: short stacking energy: -214.148 Base-Backbone interact. energy: 1.112 local terms energy: -299.143151 where: bonds (distance) C4'-P energy: -65.558 bonds (distance) P-C4' energy: -74.893 flat angles C4'-P-C4' energy: -70.119 flat angles P-C4'-P energy: -41.818 tors. eta vs tors. theta energy: -46.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -674.345412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.345412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.345412 (E_RNA) where: Base-Base interactions energy: -418.420 where: short stacking energy: -195.474 Base-Backbone interact. energy: -1.483 local terms energy: -254.443247 where: bonds (distance) C4'-P energy: -53.528 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -57.101 flat angles P-C4'-P energy: -36.279 tors. eta vs tors. theta energy: -39.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -604.134283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.134283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.134283 (E_RNA) where: Base-Base interactions energy: -359.935 where: short stacking energy: -175.818 Base-Backbone interact. energy: 2.620 local terms energy: -246.818707 where: bonds (distance) C4'-P energy: -62.169 bonds (distance) P-C4' energy: -64.493 flat angles C4'-P-C4' energy: -50.714 flat angles P-C4'-P energy: -41.112 tors. eta vs tors. theta energy: -28.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -487.659319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.659319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.659319 (E_RNA) where: Base-Base interactions energy: -259.038 where: short stacking energy: -111.619 Base-Backbone interact. energy: -0.988 local terms energy: -227.633505 where: bonds (distance) C4'-P energy: -59.414 bonds (distance) P-C4' energy: -63.867 flat angles C4'-P-C4' energy: -54.049 flat angles P-C4'-P energy: -38.045 tors. eta vs tors. theta energy: -12.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -273.272573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.272573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.272573 (E_RNA) where: Base-Base interactions energy: -91.226 where: short stacking energy: -80.265 Base-Backbone interact. energy: -0.596 local terms energy: -181.451270 where: bonds (distance) C4'-P energy: -42.852 bonds (distance) P-C4' energy: -57.674 flat angles C4'-P-C4' energy: -46.748 flat angles P-C4'-P energy: -35.807 tors. eta vs tors. theta energy: 1.629 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: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1160.648631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.648631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.648631 (E_RNA) where: Base-Base interactions energy: -789.992 where: short stacking energy: -360.098 Base-Backbone interact. energy: -1.705 local terms energy: -368.952217 where: bonds (distance) C4'-P energy: -71.272 bonds (distance) P-C4' energy: -71.263 flat angles C4'-P-C4' energy: -78.811 flat angles P-C4'-P energy: -44.311 tors. eta vs tors. theta energy: -103.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1095.830384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.830384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.830384 (E_RNA) where: Base-Base interactions energy: -743.597 where: short stacking energy: -343.071 Base-Backbone interact. energy: -1.405 local terms energy: -350.828681 where: bonds (distance) C4'-P energy: -60.652 bonds (distance) P-C4' energy: -70.920 flat angles C4'-P-C4' energy: -75.896 flat angles P-C4'-P energy: -48.438 tors. eta vs tors. theta energy: -94.922 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: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -985.879369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.879369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.879369 (E_RNA) where: Base-Base interactions energy: -627.120 where: short stacking energy: -313.713 Base-Backbone interact. energy: 0.061 local terms energy: -358.820654 where: bonds (distance) C4'-P energy: -71.947 bonds (distance) P-C4' energy: -73.572 flat angles C4'-P-C4' energy: -70.458 flat angles P-C4'-P energy: -48.501 tors. eta vs tors. theta energy: -94.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -909.032536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.032536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.032536 (E_RNA) where: Base-Base interactions energy: -595.088 where: short stacking energy: -280.135 Base-Backbone interact. energy: -0.021 local terms energy: -313.923042 where: bonds (distance) C4'-P energy: -61.269 bonds (distance) P-C4' energy: -66.024 flat angles C4'-P-C4' energy: -65.494 flat angles P-C4'-P energy: -44.793 tors. eta vs tors. theta energy: -76.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -858.026909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.026909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.026909 (E_RNA) where: Base-Base interactions energy: -561.964 where: short stacking energy: -237.120 Base-Backbone interact. energy: -0.778 local terms energy: -295.285305 where: bonds (distance) C4'-P energy: -61.081 bonds (distance) P-C4' energy: -62.862 flat angles C4'-P-C4' energy: -63.180 flat angles P-C4'-P energy: -48.748 tors. eta vs tors. theta energy: -59.415 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: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -745.464857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.464857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.464857 (E_RNA) where: Base-Base interactions energy: -447.630 where: short stacking energy: -221.324 Base-Backbone interact. energy: -1.326 local terms energy: -296.508820 where: bonds (distance) C4'-P energy: -56.172 bonds (distance) P-C4' energy: -60.815 flat angles C4'-P-C4' energy: -80.308 flat angles P-C4'-P energy: -52.263 tors. eta vs tors. theta energy: -46.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -725.303589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.303589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.303589 (E_RNA) where: Base-Base interactions energy: -454.316 where: short stacking energy: -223.667 Base-Backbone interact. energy: 1.776 local terms energy: -272.763408 where: bonds (distance) C4'-P energy: -60.883 bonds (distance) P-C4' energy: -58.411 flat angles C4'-P-C4' energy: -59.099 flat angles P-C4'-P energy: -37.919 tors. eta vs tors. theta energy: -56.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -597.515043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.515043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.515043 (E_RNA) where: Base-Base interactions energy: -362.488 where: short stacking energy: -171.011 Base-Backbone interact. energy: -0.915 local terms energy: -234.111638 where: bonds (distance) C4'-P energy: -48.090 bonds (distance) P-C4' energy: -56.667 flat angles C4'-P-C4' energy: -62.363 flat angles P-C4'-P energy: -34.332 tors. eta vs tors. theta energy: -32.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -467.523850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.523850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.523850 (E_RNA) where: Base-Base interactions energy: -244.072 where: short stacking energy: -146.920 Base-Backbone interact. energy: -0.078 local terms energy: -223.373951 where: bonds (distance) C4'-P energy: -64.518 bonds (distance) P-C4' energy: -63.671 flat angles C4'-P-C4' energy: -41.082 flat angles P-C4'-P energy: -34.976 tors. eta vs tors. theta energy: -19.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -310.290765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.290765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.290765 (E_RNA) where: Base-Base interactions energy: -142.866 where: short stacking energy: -94.909 Base-Backbone interact. energy: 1.285 local terms energy: -168.710493 where: bonds (distance) C4'-P energy: -44.396 bonds (distance) P-C4' energy: -56.059 flat angles C4'-P-C4' energy: -42.684 flat angles P-C4'-P energy: -32.405 tors. eta vs tors. theta energy: 6.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1175.707944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.707944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.707944 (E_RNA) where: Base-Base interactions energy: -791.606 where: short stacking energy: -360.663 Base-Backbone interact. energy: -0.831 local terms energy: -383.270295 where: bonds (distance) C4'-P energy: -77.616 bonds (distance) P-C4' energy: -78.169 flat angles C4'-P-C4' energy: -77.342 flat angles P-C4'-P energy: -47.202 tors. eta vs tors. theta energy: -102.942 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: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1081.215322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.215322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.215322 (E_RNA) where: Base-Base interactions energy: -716.088 where: short stacking energy: -326.430 Base-Backbone interact. energy: -2.678 local terms energy: -362.449638 where: bonds (distance) C4'-P energy: -74.711 bonds (distance) P-C4' energy: -70.091 flat angles C4'-P-C4' energy: -68.905 flat angles P-C4'-P energy: -56.188 tors. eta vs tors. theta energy: -92.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -995.075618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.075618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.075618 (E_RNA) where: Base-Base interactions energy: -662.513 where: short stacking energy: -312.097 Base-Backbone interact. energy: -0.391 local terms energy: -332.172140 where: bonds (distance) C4'-P energy: -56.000 bonds (distance) P-C4' energy: -57.756 flat angles C4'-P-C4' energy: -71.407 flat angles P-C4'-P energy: -52.703 tors. eta vs tors. theta energy: -94.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -920.837895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.837895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.837895 (E_RNA) where: Base-Base interactions energy: -583.240 where: short stacking energy: -278.809 Base-Backbone interact. energy: -0.693 local terms energy: -336.904724 where: bonds (distance) C4'-P energy: -63.095 bonds (distance) P-C4' energy: -72.575 flat angles C4'-P-C4' energy: -75.923 flat angles P-C4'-P energy: -47.085 tors. eta vs tors. theta energy: -78.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -862.151472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.151472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.151472 (E_RNA) where: Base-Base interactions energy: -560.819 where: short stacking energy: -281.593 Base-Backbone interact. energy: 0.705 local terms energy: -302.037148 where: bonds (distance) C4'-P energy: -58.922 bonds (distance) P-C4' energy: -65.122 flat angles C4'-P-C4' energy: -63.513 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -67.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -713.488003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.488003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.488003 (E_RNA) where: Base-Base interactions energy: -449.091 where: short stacking energy: -220.607 Base-Backbone interact. energy: 0.171 local terms energy: -264.568449 where: bonds (distance) C4'-P energy: -62.569 bonds (distance) P-C4' energy: -70.983 flat angles C4'-P-C4' energy: -58.530 flat angles P-C4'-P energy: -26.024 tors. eta vs tors. theta energy: -46.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -706.586652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.586652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.586652 (E_RNA) where: Base-Base interactions energy: -441.496 where: short stacking energy: -213.698 Base-Backbone interact. energy: -1.082 local terms energy: -264.009001 where: bonds (distance) C4'-P energy: -53.289 bonds (distance) P-C4' energy: -61.118 flat angles C4'-P-C4' energy: -64.480 flat angles P-C4'-P energy: -34.345 tors. eta vs tors. theta energy: -50.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -657.654968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.654968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.654968 (E_RNA) where: Base-Base interactions energy: -403.355 where: short stacking energy: -207.803 Base-Backbone interact. energy: 1.861 local terms energy: -256.161712 where: bonds (distance) C4'-P energy: -56.150 bonds (distance) P-C4' energy: -52.619 flat angles C4'-P-C4' energy: -53.590 flat angles P-C4'-P energy: -42.603 tors. eta vs tors. theta energy: -51.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -483.964353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.964353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.964353 (E_RNA) where: Base-Base interactions energy: -290.525 where: short stacking energy: -147.492 Base-Backbone interact. energy: 1.719 local terms energy: -195.157841 where: bonds (distance) C4'-P energy: -33.049 bonds (distance) P-C4' energy: -57.757 flat angles C4'-P-C4' energy: -49.371 flat angles P-C4'-P energy: -35.433 tors. eta vs tors. theta energy: -19.548 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: 294 Temperature: 1.350000 Total energy: -397.939682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.939682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.939682 (E_RNA) where: Base-Base interactions energy: -194.868 where: short stacking energy: -109.241 Base-Backbone interact. energy: 0.081 local terms energy: -203.152585 where: bonds (distance) C4'-P energy: -50.400 bonds (distance) P-C4' energy: -63.964 flat angles C4'-P-C4' energy: -49.066 flat angles P-C4'-P energy: -32.031 tors. eta vs tors. theta energy: -7.692 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: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1179.499642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.499642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.499642 (E_RNA) where: Base-Base interactions energy: -793.153 where: short stacking energy: -376.160 Base-Backbone interact. energy: 1.739 local terms energy: -388.084931 where: bonds (distance) C4'-P energy: -68.513 bonds (distance) P-C4' energy: -68.767 flat angles C4'-P-C4' energy: -82.651 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -112.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1086.656951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.656951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.656951 (E_RNA) where: Base-Base interactions energy: -734.436 where: short stacking energy: -333.059 Base-Backbone interact. energy: 0.067 local terms energy: -352.288023 where: bonds (distance) C4'-P energy: -72.486 bonds (distance) P-C4' energy: -65.475 flat angles C4'-P-C4' energy: -68.940 flat angles P-C4'-P energy: -52.124 tors. eta vs tors. theta energy: -93.264 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: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -999.966858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.966858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.966858 (E_RNA) where: Base-Base interactions energy: -660.881 where: short stacking energy: -310.615 Base-Backbone interact. energy: -0.877 local terms energy: -338.209133 where: bonds (distance) C4'-P energy: -71.330 bonds (distance) P-C4' energy: -72.353 flat angles C4'-P-C4' energy: -73.093 flat angles P-C4'-P energy: -35.136 tors. eta vs tors. theta energy: -86.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -934.417172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.417172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.417172 (E_RNA) where: Base-Base interactions energy: -602.642 where: short stacking energy: -282.127 Base-Backbone interact. energy: -0.682 local terms energy: -331.093731 where: bonds (distance) C4'-P energy: -62.999 bonds (distance) P-C4' energy: -75.370 flat angles C4'-P-C4' energy: -68.812 flat angles P-C4'-P energy: -40.623 tors. eta vs tors. theta energy: -83.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -801.638291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.638291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.638291 (E_RNA) where: Base-Base interactions energy: -526.656 where: short stacking energy: -238.267 Base-Backbone interact. energy: 1.382 local terms energy: -276.363729 where: bonds (distance) C4'-P energy: -65.469 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -62.527 flat angles P-C4'-P energy: -32.091 tors. eta vs tors. theta energy: -49.563 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: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -753.798466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.798466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.798466 (E_RNA) where: Base-Base interactions energy: -487.262 where: short stacking energy: -242.149 Base-Backbone interact. energy: 0.083 local terms energy: -266.619507 where: bonds (distance) C4'-P energy: -59.912 bonds (distance) P-C4' energy: -61.615 flat angles C4'-P-C4' energy: -53.728 flat angles P-C4'-P energy: -33.703 tors. eta vs tors. theta energy: -57.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -675.270865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.270865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.270865 (E_RNA) where: Base-Base interactions energy: -397.660 where: short stacking energy: -217.800 Base-Backbone interact. energy: -0.074 local terms energy: -277.536311 where: bonds (distance) C4'-P energy: -60.904 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -63.776 flat angles P-C4'-P energy: -43.369 tors. eta vs tors. theta energy: -47.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -691.640864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.640864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.640864 (E_RNA) where: Base-Base interactions energy: -421.347 where: short stacking energy: -202.564 Base-Backbone interact. energy: -0.846 local terms energy: -269.448308 where: bonds (distance) C4'-P energy: -55.135 bonds (distance) P-C4' energy: -51.053 flat angles C4'-P-C4' energy: -65.696 flat angles P-C4'-P energy: -48.774 tors. eta vs tors. theta energy: -48.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -486.103514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.103514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.103514 (E_RNA) where: Base-Base interactions energy: -280.116 where: short stacking energy: -154.309 Base-Backbone interact. energy: 0.026 local terms energy: -206.012923 where: bonds (distance) C4'-P energy: -50.574 bonds (distance) P-C4' energy: -52.490 flat angles C4'-P-C4' energy: -49.699 flat angles P-C4'-P energy: -36.943 tors. eta vs tors. theta energy: -16.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -339.569822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.569822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.569822 (E_RNA) where: Base-Base interactions energy: -141.659 where: short stacking energy: -85.156 Base-Backbone interact. energy: 0.417 local terms energy: -198.328324 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -64.629 flat angles C4'-P-C4' energy: -48.217 flat angles P-C4'-P energy: -32.143 tors. eta vs tors. theta energy: 1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1179.954328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.954328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.954328 (E_RNA) where: Base-Base interactions energy: -798.291 where: short stacking energy: -367.313 Base-Backbone interact. energy: -0.611 local terms energy: -381.052001 where: bonds (distance) C4'-P energy: -66.387 bonds (distance) P-C4' energy: -66.275 flat angles C4'-P-C4' energy: -82.840 flat angles P-C4'-P energy: -55.933 tors. eta vs tors. theta energy: -109.616 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: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1088.036170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.036170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.036170 (E_RNA) where: Base-Base interactions energy: -736.823 where: short stacking energy: -331.165 Base-Backbone interact. energy: 0.646 local terms energy: -351.859076 where: bonds (distance) C4'-P energy: -63.606 bonds (distance) P-C4' energy: -70.343 flat angles C4'-P-C4' energy: -75.558 flat angles P-C4'-P energy: -55.441 tors. eta vs tors. theta energy: -86.912 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: 296 Temperature: 1.000000 Total energy: -1010.705411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.705411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.705411 (E_RNA) where: Base-Base interactions energy: -650.007 where: short stacking energy: -324.414 Base-Backbone interact. energy: -0.450 local terms energy: -360.248853 where: bonds (distance) C4'-P energy: -70.113 bonds (distance) P-C4' energy: -70.418 flat angles C4'-P-C4' energy: -76.111 flat angles P-C4'-P energy: -50.584 tors. eta vs tors. theta energy: -93.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -949.438641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.438641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.438641 (E_RNA) where: Base-Base interactions energy: -610.556 where: short stacking energy: -299.313 Base-Backbone interact. energy: -3.366 local terms energy: -335.516422 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -79.906 flat angles P-C4'-P energy: -38.275 tors. eta vs tors. theta energy: -83.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -815.645633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.645633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.645633 (E_RNA) where: Base-Base interactions energy: -517.047 where: short stacking energy: -267.252 Base-Backbone interact. energy: -0.509 local terms energy: -298.090174 where: bonds (distance) C4'-P energy: -47.332 bonds (distance) P-C4' energy: -67.788 flat angles C4'-P-C4' energy: -73.090 flat angles P-C4'-P energy: -42.185 tors. eta vs tors. theta energy: -67.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -764.214504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.214504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.214504 (E_RNA) where: Base-Base interactions energy: -477.587 where: short stacking energy: -227.589 Base-Backbone interact. energy: -0.762 local terms energy: -285.864661 where: bonds (distance) C4'-P energy: -59.319 bonds (distance) P-C4' energy: -70.318 flat angles C4'-P-C4' energy: -57.201 flat angles P-C4'-P energy: -48.884 tors. eta vs tors. theta energy: -50.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -666.751568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.751568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.751568 (E_RNA) where: Base-Base interactions energy: -416.977 where: short stacking energy: -212.339 Base-Backbone interact. energy: 0.516 local terms energy: -250.290351 where: bonds (distance) C4'-P energy: -62.038 bonds (distance) P-C4' energy: -60.435 flat angles C4'-P-C4' energy: -52.584 flat angles P-C4'-P energy: -36.281 tors. eta vs tors. theta energy: -38.952 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: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -604.550163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.550163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.550163 (E_RNA) where: Base-Base interactions energy: -355.873 where: short stacking energy: -174.976 Base-Backbone interact. energy: -0.574 local terms energy: -248.103102 where: bonds (distance) C4'-P energy: -52.218 bonds (distance) P-C4' energy: -71.678 flat angles C4'-P-C4' energy: -58.192 flat angles P-C4'-P energy: -36.220 tors. eta vs tors. theta energy: -29.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -477.075644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.075644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.075644 (E_RNA) where: Base-Base interactions energy: -273.192 where: short stacking energy: -128.430 Base-Backbone interact. energy: -1.579 local terms energy: -202.304212 where: bonds (distance) C4'-P energy: -44.874 bonds (distance) P-C4' energy: -55.214 flat angles C4'-P-C4' energy: -45.997 flat angles P-C4'-P energy: -35.145 tors. eta vs tors. theta energy: -21.074 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: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -360.328611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.328611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.328611 (E_RNA) where: Base-Base interactions energy: -184.162 where: short stacking energy: -101.113 Base-Backbone interact. energy: 2.084 local terms energy: -178.250252 where: bonds (distance) C4'-P energy: -52.513 bonds (distance) P-C4' energy: -64.597 flat angles C4'-P-C4' energy: -41.409 flat angles P-C4'-P energy: -14.012 tors. eta vs tors. theta energy: -5.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1184.174245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.174245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.174245 (E_RNA) where: Base-Base interactions energy: -791.977 where: short stacking energy: -367.607 Base-Backbone interact. energy: -1.355 local terms energy: -390.843095 where: bonds (distance) C4'-P energy: -82.031 bonds (distance) P-C4' energy: -70.234 flat angles C4'-P-C4' energy: -75.299 flat angles P-C4'-P energy: -58.004 tors. eta vs tors. theta energy: -105.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1091.544233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.544233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.544233 (E_RNA) where: Base-Base interactions energy: -724.883 where: short stacking energy: -338.703 Base-Backbone interact. energy: -2.604 local terms energy: -364.057370 where: bonds (distance) C4'-P energy: -70.892 bonds (distance) P-C4' energy: -71.789 flat angles C4'-P-C4' energy: -73.271 flat angles P-C4'-P energy: -56.424 tors. eta vs tors. theta energy: -91.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -972.861318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.861318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.861318 (E_RNA) where: Base-Base interactions energy: -646.766 where: short stacking energy: -325.227 Base-Backbone interact. energy: -0.180 local terms energy: -325.914925 where: bonds (distance) C4'-P energy: -66.631 bonds (distance) P-C4' energy: -59.105 flat angles C4'-P-C4' energy: -65.099 flat angles P-C4'-P energy: -42.317 tors. eta vs tors. theta energy: -92.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -932.345310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.345310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.345310 (E_RNA) where: Base-Base interactions energy: -590.999 where: short stacking energy: -268.047 Base-Backbone interact. energy: -1.131 local terms energy: -340.215400 where: bonds (distance) C4'-P energy: -64.521 bonds (distance) P-C4' energy: -64.481 flat angles C4'-P-C4' energy: -79.246 flat angles P-C4'-P energy: -48.690 tors. eta vs tors. theta energy: -83.278 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: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -886.824649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.824649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.824649 (E_RNA) where: Base-Base interactions energy: -556.988 where: short stacking energy: -281.718 Base-Backbone interact. energy: 0.909 local terms energy: -330.745215 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -57.620 flat angles C4'-P-C4' energy: -79.788 flat angles P-C4'-P energy: -47.829 tors. eta vs tors. theta energy: -77.050 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: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -715.373026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.373026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.373026 (E_RNA) where: Base-Base interactions energy: -431.967 where: short stacking energy: -215.492 Base-Backbone interact. energy: -0.274 local terms energy: -283.131812 where: bonds (distance) C4'-P energy: -66.155 bonds (distance) P-C4' energy: -70.930 flat angles C4'-P-C4' energy: -57.196 flat angles P-C4'-P energy: -43.186 tors. eta vs tors. theta energy: -45.664 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: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -720.188747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.188747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.188747 (E_RNA) where: Base-Base interactions energy: -457.905 where: short stacking energy: -210.202 Base-Backbone interact. energy: -1.242 local terms energy: -261.042628 where: bonds (distance) C4'-P energy: -47.882 bonds (distance) P-C4' energy: -66.437 flat angles C4'-P-C4' energy: -57.127 flat angles P-C4'-P energy: -49.123 tors. eta vs tors. theta energy: -40.474 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: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -604.416797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.416797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.416797 (E_RNA) where: Base-Base interactions energy: -373.632 where: short stacking energy: -167.486 Base-Backbone interact. energy: 2.337 local terms energy: -233.122577 where: bonds (distance) C4'-P energy: -49.944 bonds (distance) P-C4' energy: -61.493 flat angles C4'-P-C4' energy: -59.595 flat angles P-C4'-P energy: -28.063 tors. eta vs tors. theta energy: -34.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -457.718232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.718232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.718232 (E_RNA) where: Base-Base interactions energy: -233.566 where: short stacking energy: -119.681 Base-Backbone interact. energy: -1.056 local terms energy: -223.096718 where: bonds (distance) C4'-P energy: -62.075 bonds (distance) P-C4' energy: -64.167 flat angles C4'-P-C4' energy: -55.282 flat angles P-C4'-P energy: -36.781 tors. eta vs tors. theta energy: -4.790 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: 297 Temperature: 1.350000 Total energy: -342.917678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.917678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.917678 (E_RNA) where: Base-Base interactions energy: -139.615 where: short stacking energy: -99.401 Base-Backbone interact. energy: -0.945 local terms energy: -202.357323 where: bonds (distance) C4'-P energy: -58.487 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -51.547 flat angles P-C4'-P energy: -31.093 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1169.639273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.639273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.639273 (E_RNA) where: Base-Base interactions energy: -792.999 where: short stacking energy: -365.323 Base-Backbone interact. energy: -0.653 local terms energy: -375.987112 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -71.788 flat angles C4'-P-C4' energy: -78.307 flat angles P-C4'-P energy: -58.743 tors. eta vs tors. theta energy: -102.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1090.728713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.728713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.728713 (E_RNA) where: Base-Base interactions energy: -737.029 where: short stacking energy: -308.121 Base-Backbone interact. energy: -1.359 local terms energy: -352.341154 where: bonds (distance) C4'-P energy: -71.210 bonds (distance) P-C4' energy: -73.128 flat angles C4'-P-C4' energy: -80.086 flat angles P-C4'-P energy: -45.806 tors. eta vs tors. theta energy: -82.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -979.660829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.660829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.660829 (E_RNA) where: Base-Base interactions energy: -638.100 where: short stacking energy: -324.982 Base-Backbone interact. energy: -0.606 local terms energy: -340.955093 where: bonds (distance) C4'-P energy: -62.269 bonds (distance) P-C4' energy: -60.970 flat angles C4'-P-C4' energy: -70.038 flat angles P-C4'-P energy: -57.411 tors. eta vs tors. theta energy: -90.267 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: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -945.679111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.679111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.679111 (E_RNA) where: Base-Base interactions energy: -604.649 where: short stacking energy: -299.464 Base-Backbone interact. energy: 1.143 local terms energy: -342.172433 where: bonds (distance) C4'-P energy: -64.878 bonds (distance) P-C4' energy: -65.125 flat angles C4'-P-C4' energy: -76.358 flat angles P-C4'-P energy: -48.717 tors. eta vs tors. theta energy: -87.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -892.854557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.854557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.854557 (E_RNA) where: Base-Base interactions energy: -567.799 where: short stacking energy: -262.637 Base-Backbone interact. energy: -1.009 local terms energy: -324.046125 where: bonds (distance) C4'-P energy: -66.935 bonds (distance) P-C4' energy: -74.801 flat angles C4'-P-C4' energy: -72.257 flat angles P-C4'-P energy: -36.810 tors. eta vs tors. theta energy: -73.244 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: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -768.539494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.539494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.539494 (E_RNA) where: Base-Base interactions energy: -463.469 where: short stacking energy: -237.247 Base-Backbone interact. energy: 1.835 local terms energy: -306.905564 where: bonds (distance) C4'-P energy: -68.535 bonds (distance) P-C4' energy: -73.540 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -32.831 tors. eta vs tors. theta energy: -60.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -728.289807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.289807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.289807 (E_RNA) where: Base-Base interactions energy: -462.431 where: short stacking energy: -208.587 Base-Backbone interact. energy: -0.627 local terms energy: -265.230937 where: bonds (distance) C4'-P energy: -58.093 bonds (distance) P-C4' energy: -62.460 flat angles C4'-P-C4' energy: -64.450 flat angles P-C4'-P energy: -46.695 tors. eta vs tors. theta energy: -33.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -590.647875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.647875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.647875 (E_RNA) where: Base-Base interactions energy: -339.271 where: short stacking energy: -193.139 Base-Backbone interact. energy: -1.829 local terms energy: -249.548094 where: bonds (distance) C4'-P energy: -62.351 bonds (distance) P-C4' energy: -63.208 flat angles C4'-P-C4' energy: -49.453 flat angles P-C4'-P energy: -31.942 tors. eta vs tors. theta energy: -42.594 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: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -356.399838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.399838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.399838 (E_RNA) where: Base-Base interactions energy: -144.366 where: short stacking energy: -102.275 Base-Backbone interact. energy: -1.587 local terms energy: -210.446831 where: bonds (distance) C4'-P energy: -48.720 bonds (distance) P-C4' energy: -63.406 flat angles C4'-P-C4' energy: -59.323 flat angles P-C4'-P energy: -32.428 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -455.226444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.226444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.226444 (E_RNA) where: Base-Base interactions energy: -251.808 where: short stacking energy: -122.712 Base-Backbone interact. energy: 2.339 local terms energy: -205.757550 where: bonds (distance) C4'-P energy: -42.726 bonds (distance) P-C4' energy: -65.022 flat angles C4'-P-C4' energy: -52.447 flat angles P-C4'-P energy: -27.932 tors. eta vs tors. theta energy: -17.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1167.031836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.031836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.031836 (E_RNA) where: Base-Base interactions energy: -790.066 where: short stacking energy: -370.309 Base-Backbone interact. energy: -0.757 local terms energy: -376.208830 where: bonds (distance) C4'-P energy: -69.381 bonds (distance) P-C4' energy: -69.237 flat angles C4'-P-C4' energy: -74.575 flat angles P-C4'-P energy: -60.843 tors. eta vs tors. theta energy: -102.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1090.215394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.215394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.215394 (E_RNA) where: Base-Base interactions energy: -740.133 where: short stacking energy: -348.437 Base-Backbone interact. energy: -3.975 local terms energy: -346.107544 where: bonds (distance) C4'-P energy: -58.294 bonds (distance) P-C4' energy: -78.430 flat angles C4'-P-C4' energy: -66.083 flat angles P-C4'-P energy: -50.303 tors. eta vs tors. theta energy: -92.997 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: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1009.873170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.873170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.873170 (E_RNA) where: Base-Base interactions energy: -677.248 where: short stacking energy: -347.147 Base-Backbone interact. energy: -1.391 local terms energy: -331.233640 where: bonds (distance) C4'-P energy: -47.627 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -76.492 flat angles P-C4'-P energy: -41.380 tors. eta vs tors. theta energy: -102.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -948.783395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.783395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.783395 (E_RNA) where: Base-Base interactions energy: -608.690 where: short stacking energy: -301.032 Base-Backbone interact. energy: -1.848 local terms energy: -338.245355 where: bonds (distance) C4'-P energy: -61.555 bonds (distance) P-C4' energy: -65.353 flat angles C4'-P-C4' energy: -71.641 flat angles P-C4'-P energy: -55.174 tors. eta vs tors. theta energy: -84.523 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: 6 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -916.963598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.963598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.963598 (E_RNA) where: Base-Base interactions energy: -580.676 where: short stacking energy: -284.207 Base-Backbone interact. energy: -0.240 local terms energy: -336.047580 where: bonds (distance) C4'-P energy: -61.441 bonds (distance) P-C4' energy: -70.086 flat angles C4'-P-C4' energy: -75.748 flat angles P-C4'-P energy: -44.415 tors. eta vs tors. theta energy: -84.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -766.525604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.525604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.525604 (E_RNA) where: Base-Base interactions energy: -476.379 where: short stacking energy: -234.466 Base-Backbone interact. energy: 3.938 local terms energy: -294.084902 where: bonds (distance) C4'-P energy: -60.525 bonds (distance) P-C4' energy: -64.222 flat angles C4'-P-C4' energy: -66.055 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -51.240 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: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -705.005543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.005543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.005543 (E_RNA) where: Base-Base interactions energy: -426.528 where: short stacking energy: -210.744 Base-Backbone interact. energy: 0.899 local terms energy: -279.376404 where: bonds (distance) C4'-P energy: -70.946 bonds (distance) P-C4' energy: -59.051 flat angles C4'-P-C4' energy: -69.535 flat angles P-C4'-P energy: -36.409 tors. eta vs tors. theta energy: -43.435 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: 8, replica: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -592.110873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.110873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.110873 (E_RNA) where: Base-Base interactions energy: -334.361 where: short stacking energy: -169.981 Base-Backbone interact. energy: 1.679 local terms energy: -259.428295 where: bonds (distance) C4'-P energy: -66.585 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -63.509 flat angles P-C4'-P energy: -32.591 tors. eta vs tors. theta energy: -36.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -380.311962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.311962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.311962 (E_RNA) where: Base-Base interactions energy: -182.240 where: short stacking energy: -103.270 Base-Backbone interact. energy: 0.906 local terms energy: -198.977374 where: bonds (distance) C4'-P energy: -45.774 bonds (distance) P-C4' energy: -58.528 flat angles C4'-P-C4' energy: -47.806 flat angles P-C4'-P energy: -30.412 tors. eta vs tors. theta energy: -16.458 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: 10, replica: 2 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -514.833751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.833751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.833751 (E_RNA) where: Base-Base interactions energy: -320.464 where: short stacking energy: -143.947 Base-Backbone interact. energy: -1.763 local terms energy: -192.606955 where: bonds (distance) C4'-P energy: -40.285 bonds (distance) P-C4' energy: -60.222 flat angles C4'-P-C4' energy: -63.706 flat angles P-C4'-P energy: -23.141 tors. eta vs tors. theta energy: -5.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1176.486410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.486410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.486410 (E_RNA) where: Base-Base interactions energy: -789.293 where: short stacking energy: -364.081 Base-Backbone interact. energy: -1.278 local terms energy: -385.914644 where: bonds (distance) C4'-P energy: -79.078 bonds (distance) P-C4' energy: -72.810 flat angles C4'-P-C4' energy: -77.751 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: -108.813 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: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1111.043423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.043423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.043423 (E_RNA) where: Base-Base interactions energy: -740.014 where: short stacking energy: -336.970 Base-Backbone interact. energy: -1.174 local terms energy: -369.855770 where: bonds (distance) C4'-P energy: -70.020 bonds (distance) P-C4' energy: -78.399 flat angles C4'-P-C4' energy: -77.969 flat angles P-C4'-P energy: -49.606 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: 3, replica: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1022.970661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.970661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.970661 (E_RNA) where: Base-Base interactions energy: -681.227 where: short stacking energy: -343.188 Base-Backbone interact. energy: -0.984 local terms energy: -340.759254 where: bonds (distance) C4'-P energy: -58.387 bonds (distance) P-C4' energy: -65.296 flat angles C4'-P-C4' energy: -75.587 flat angles P-C4'-P energy: -43.091 tors. eta vs tors. theta energy: -98.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -935.185998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.185998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.185998 (E_RNA) where: Base-Base interactions energy: -603.787 where: short stacking energy: -292.276 Base-Backbone interact. energy: -0.820 local terms energy: -330.579563 where: bonds (distance) C4'-P energy: -63.064 bonds (distance) P-C4' energy: -67.341 flat angles C4'-P-C4' energy: -75.443 flat angles P-C4'-P energy: -46.880 tors. eta vs tors. theta energy: -77.852 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: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -887.877878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.877878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.877878 (E_RNA) where: Base-Base interactions energy: -561.810 where: short stacking energy: -276.138 Base-Backbone interact. energy: 0.765 local terms energy: -326.833128 where: bonds (distance) C4'-P energy: -49.837 bonds (distance) P-C4' energy: -74.767 flat angles C4'-P-C4' energy: -70.621 flat angles P-C4'-P energy: -53.814 tors. eta vs tors. theta energy: -77.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -747.157232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.157232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.157232 (E_RNA) where: Base-Base interactions energy: -457.036 where: short stacking energy: -221.662 Base-Backbone interact. energy: -0.820 local terms energy: -289.300852 where: bonds (distance) C4'-P energy: -66.183 bonds (distance) P-C4' energy: -64.231 flat angles C4'-P-C4' energy: -66.176 flat angles P-C4'-P energy: -47.462 tors. eta vs tors. theta energy: -45.249 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: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -697.509920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.509920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.509920 (E_RNA) where: Base-Base interactions energy: -442.288 where: short stacking energy: -190.954 Base-Backbone interact. energy: 3.928 local terms energy: -259.149585 where: bonds (distance) C4'-P energy: -69.809 bonds (distance) P-C4' energy: -58.905 flat angles C4'-P-C4' energy: -55.848 flat angles P-C4'-P energy: -36.219 tors. eta vs tors. theta energy: -38.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -600.909034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.909034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.909034 (E_RNA) where: Base-Base interactions energy: -364.167 where: short stacking energy: -184.913 Base-Backbone interact. energy: -2.168 local terms energy: -234.573539 where: bonds (distance) C4'-P energy: -57.646 bonds (distance) P-C4' energy: -50.869 flat angles C4'-P-C4' energy: -56.338 flat angles P-C4'-P energy: -35.321 tors. eta vs tors. theta energy: -34.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -506.935124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.935124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.935124 (E_RNA) where: Base-Base interactions energy: -309.838 where: short stacking energy: -144.132 Base-Backbone interact. energy: 2.218 local terms energy: -199.315671 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -46.340 flat angles C4'-P-C4' energy: -53.473 flat angles P-C4'-P energy: -33.932 tors. eta vs tors. theta energy: -10.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -373.972124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.972124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.972124 (E_RNA) where: Base-Base interactions energy: -180.403 where: short stacking energy: -116.235 Base-Backbone interact. energy: 1.496 local terms energy: -195.065257 where: bonds (distance) C4'-P energy: -33.756 bonds (distance) P-C4' energy: -63.056 flat angles C4'-P-C4' energy: -50.690 flat angles P-C4'-P energy: -32.368 tors. eta vs tors. theta energy: -15.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1179.436666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.436666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.436666 (E_RNA) where: Base-Base interactions energy: -783.100 where: short stacking energy: -375.707 Base-Backbone interact. energy: -0.715 local terms energy: -395.621977 where: bonds (distance) C4'-P energy: -67.997 bonds (distance) P-C4' energy: -75.247 flat angles C4'-P-C4' energy: -84.389 flat angles P-C4'-P energy: -57.399 tors. eta vs tors. theta energy: -110.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1125.704985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.704985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.704985 (E_RNA) where: Base-Base interactions energy: -757.367 where: short stacking energy: -342.154 Base-Backbone interact. energy: -0.868 local terms energy: -367.469181 where: bonds (distance) C4'-P energy: -68.841 bonds (distance) P-C4' energy: -71.831 flat angles C4'-P-C4' energy: -77.653 flat angles P-C4'-P energy: -57.412 tors. eta vs tors. theta energy: -91.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1009.247639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.247639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.247639 (E_RNA) where: Base-Base interactions energy: -654.195 where: short stacking energy: -336.610 Base-Backbone interact. energy: -1.307 local terms energy: -353.745513 where: bonds (distance) C4'-P energy: -64.058 bonds (distance) P-C4' energy: -67.619 flat angles C4'-P-C4' energy: -74.056 flat angles P-C4'-P energy: -50.570 tors. eta vs tors. theta energy: -97.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -928.130458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.130458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.130458 (E_RNA) where: Base-Base interactions energy: -624.935 where: short stacking energy: -281.652 Base-Backbone interact. energy: -0.421 local terms energy: -302.774652 where: bonds (distance) C4'-P energy: -62.531 bonds (distance) P-C4' energy: -63.845 flat angles C4'-P-C4' energy: -69.907 flat angles P-C4'-P energy: -39.531 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: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -867.508648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.508648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.508648 (E_RNA) where: Base-Base interactions energy: -568.760 where: short stacking energy: -264.506 Base-Backbone interact. energy: -2.074 local terms energy: -296.675075 where: bonds (distance) C4'-P energy: -55.014 bonds (distance) P-C4' energy: -64.307 flat angles C4'-P-C4' energy: -59.571 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: -74.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -748.397300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.397300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.397300 (E_RNA) where: Base-Base interactions energy: -455.587 where: short stacking energy: -212.171 Base-Backbone interact. energy: 1.413 local terms energy: -294.222522 where: bonds (distance) C4'-P energy: -60.372 bonds (distance) P-C4' energy: -67.213 flat angles C4'-P-C4' energy: -69.412 flat angles P-C4'-P energy: -48.358 tors. eta vs tors. theta energy: -48.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -688.220504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.220504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.220504 (E_RNA) where: Base-Base interactions energy: -432.799 where: short stacking energy: -195.849 Base-Backbone interact. energy: 0.510 local terms energy: -255.931587 where: bonds (distance) C4'-P energy: -59.441 bonds (distance) P-C4' energy: -56.341 flat angles C4'-P-C4' energy: -47.869 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: -41.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -554.385985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.385985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.385985 (E_RNA) where: Base-Base interactions energy: -309.151 where: short stacking energy: -180.236 Base-Backbone interact. energy: -1.201 local terms energy: -244.033744 where: bonds (distance) C4'-P energy: -62.726 bonds (distance) P-C4' energy: -63.375 flat angles C4'-P-C4' energy: -49.353 flat angles P-C4'-P energy: -37.978 tors. eta vs tors. theta energy: -30.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -503.740533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.740533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.740533 (E_RNA) where: Base-Base interactions energy: -290.739 where: short stacking energy: -141.829 Base-Backbone interact. energy: -1.311 local terms energy: -211.690597 where: bonds (distance) C4'-P energy: -51.443 bonds (distance) P-C4' energy: -59.983 flat angles C4'-P-C4' energy: -55.015 flat angles P-C4'-P energy: -31.788 tors. eta vs tors. theta energy: -13.461 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: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -359.893162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.893162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.893162 (E_RNA) where: Base-Base interactions energy: -188.802 where: short stacking energy: -114.464 Base-Backbone interact. energy: -0.464 local terms energy: -170.626937 where: bonds (distance) C4'-P energy: -62.875 bonds (distance) P-C4' energy: -45.027 flat angles C4'-P-C4' energy: -38.738 flat angles P-C4'-P energy: -31.412 tors. eta vs tors. theta energy: 7.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1177.216690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.216690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.216690 (E_RNA) where: Base-Base interactions energy: -786.848 where: short stacking energy: -382.318 Base-Backbone interact. energy: -0.784 local terms energy: -389.584867 where: bonds (distance) C4'-P energy: -66.819 bonds (distance) P-C4' energy: -69.784 flat angles C4'-P-C4' energy: -82.740 flat angles P-C4'-P energy: -53.947 tors. eta vs tors. theta energy: -116.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1110.963515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.963515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.963515 (E_RNA) where: Base-Base interactions energy: -773.432 where: short stacking energy: -338.299 Base-Backbone interact. energy: -1.072 local terms energy: -336.459322 where: bonds (distance) C4'-P energy: -62.462 bonds (distance) P-C4' energy: -64.576 flat angles C4'-P-C4' energy: -67.230 flat angles P-C4'-P energy: -47.659 tors. eta vs tors. theta energy: -94.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -987.986126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.986126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.986126 (E_RNA) where: Base-Base interactions energy: -643.804 where: short stacking energy: -299.628 Base-Backbone interact. energy: -1.184 local terms energy: -342.997862 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -68.265 flat angles C4'-P-C4' energy: -74.702 flat angles P-C4'-P energy: -50.660 tors. eta vs tors. theta energy: -91.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -960.530352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.530352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.530352 (E_RNA) where: Base-Base interactions energy: -620.498 where: short stacking energy: -280.676 Base-Backbone interact. energy: -0.570 local terms energy: -339.463183 where: bonds (distance) C4'-P energy: -66.658 bonds (distance) P-C4' energy: -71.080 flat angles C4'-P-C4' energy: -77.221 flat angles P-C4'-P energy: -49.405 tors. eta vs tors. theta energy: -75.100 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: 5, replica: 6 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -872.333431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.333431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.333431 (E_RNA) where: Base-Base interactions energy: -577.974 where: short stacking energy: -281.900 Base-Backbone interact. energy: -0.108 local terms energy: -294.252016 where: bonds (distance) C4'-P energy: -66.527 bonds (distance) P-C4' energy: -62.068 flat angles C4'-P-C4' energy: -58.013 flat angles P-C4'-P energy: -40.447 tors. eta vs tors. theta energy: -67.197 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: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -766.256500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.256500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.256500 (E_RNA) where: Base-Base interactions energy: -487.541 where: short stacking energy: -238.133 Base-Backbone interact. energy: -1.422 local terms energy: -277.292694 where: bonds (distance) C4'-P energy: -64.671 bonds (distance) P-C4' energy: -68.497 flat angles C4'-P-C4' energy: -63.980 flat angles P-C4'-P energy: -32.197 tors. eta vs tors. theta energy: -47.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -732.028116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.028116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.028116 (E_RNA) where: Base-Base interactions energy: -451.064 where: short stacking energy: -223.878 Base-Backbone interact. energy: -1.689 local terms energy: -279.274788 where: bonds (distance) C4'-P energy: -56.784 bonds (distance) P-C4' energy: -73.096 flat angles C4'-P-C4' energy: -67.418 flat angles P-C4'-P energy: -31.015 tors. eta vs tors. theta energy: -50.962 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: 3 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -507.316598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.316598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.316598 (E_RNA) where: Base-Base interactions energy: -296.351 where: short stacking energy: -151.327 Base-Backbone interact. energy: 5.016 local terms energy: -215.981305 where: bonds (distance) C4'-P energy: -54.528 bonds (distance) P-C4' energy: -55.572 flat angles C4'-P-C4' energy: -55.704 flat angles P-C4'-P energy: -28.050 tors. eta vs tors. theta energy: -22.127 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: 9, replica: 2 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -477.713657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.713657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.713657 (E_RNA) where: Base-Base interactions energy: -263.944 where: short stacking energy: -138.874 Base-Backbone interact. energy: 2.892 local terms energy: -216.661230 where: bonds (distance) C4'-P energy: -49.190 bonds (distance) P-C4' energy: -59.118 flat angles C4'-P-C4' energy: -59.036 flat angles P-C4'-P energy: -34.650 tors. eta vs tors. theta energy: -14.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -340.683722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.683722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.683722 (E_RNA) where: Base-Base interactions energy: -170.523 where: short stacking energy: -115.512 Base-Backbone interact. energy: 0.520 local terms energy: -170.680860 where: bonds (distance) C4'-P energy: -44.997 bonds (distance) P-C4' energy: -50.180 flat angles C4'-P-C4' energy: -43.879 flat angles P-C4'-P energy: -34.303 tors. eta vs tors. theta energy: 2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1195.798529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.798529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.798529 (E_RNA) where: Base-Base interactions energy: -803.278 where: short stacking energy: -386.739 Base-Backbone interact. energy: -0.078 local terms energy: -392.442103 where: bonds (distance) C4'-P energy: -72.818 bonds (distance) P-C4' energy: -59.825 flat angles C4'-P-C4' energy: -81.140 flat angles P-C4'-P energy: -57.834 tors. eta vs tors. theta energy: -120.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1090.708007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.708007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.708007 (E_RNA) where: Base-Base interactions energy: -722.354 where: short stacking energy: -322.050 Base-Backbone interact. energy: -3.185 local terms energy: -365.168981 where: bonds (distance) C4'-P energy: -70.165 bonds (distance) P-C4' energy: -72.731 flat angles C4'-P-C4' energy: -69.402 flat angles P-C4'-P energy: -55.702 tors. eta vs tors. theta energy: -97.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -992.368528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.368528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.368528 (E_RNA) where: Base-Base interactions energy: -629.798 where: short stacking energy: -314.297 Base-Backbone interact. energy: -1.054 local terms energy: -361.516994 where: bonds (distance) C4'-P energy: -71.395 bonds (distance) P-C4' energy: -69.400 flat angles C4'-P-C4' energy: -72.913 flat angles P-C4'-P energy: -58.655 tors. eta vs tors. theta energy: -89.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -907.822666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.822666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.822666 (E_RNA) where: Base-Base interactions energy: -582.264 where: short stacking energy: -290.452 Base-Backbone interact. energy: -2.515 local terms energy: -323.042895 where: bonds (distance) C4'-P energy: -64.698 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -76.973 flat angles P-C4'-P energy: -38.033 tors. eta vs tors. theta energy: -75.422 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: 6 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -890.023793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.023793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.023793 (E_RNA) where: Base-Base interactions energy: -570.830 where: short stacking energy: -271.707 Base-Backbone interact. energy: 0.208 local terms energy: -319.401385 where: bonds (distance) C4'-P energy: -59.604 bonds (distance) P-C4' energy: -63.954 flat angles C4'-P-C4' energy: -74.666 flat angles P-C4'-P energy: -46.967 tors. eta vs tors. theta energy: -74.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -752.667544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.667544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.667544 (E_RNA) where: Base-Base interactions energy: -484.799 where: short stacking energy: -238.769 Base-Backbone interact. energy: -3.072 local terms energy: -264.797458 where: bonds (distance) C4'-P energy: -60.756 bonds (distance) P-C4' energy: -63.620 flat angles C4'-P-C4' energy: -56.504 flat angles P-C4'-P energy: -34.187 tors. eta vs tors. theta energy: -49.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -716.124158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.124158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.124158 (E_RNA) where: Base-Base interactions energy: -451.693 where: short stacking energy: -180.814 Base-Backbone interact. energy: -0.772 local terms energy: -263.659763 where: bonds (distance) C4'-P energy: -65.330 bonds (distance) P-C4' energy: -60.599 flat angles C4'-P-C4' energy: -71.423 flat angles P-C4'-P energy: -33.717 tors. eta vs tors. theta energy: -32.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -528.977753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.977753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.977753 (E_RNA) where: Base-Base interactions energy: -296.418 where: short stacking energy: -147.208 Base-Backbone interact. energy: 0.161 local terms energy: -232.720766 where: bonds (distance) C4'-P energy: -56.874 bonds (distance) P-C4' energy: -65.927 flat angles C4'-P-C4' energy: -52.650 flat angles P-C4'-P energy: -43.265 tors. eta vs tors. theta energy: -14.005 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: 9, replica: 2 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -468.034675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.034675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.034675 (E_RNA) where: Base-Base interactions energy: -270.612 where: short stacking energy: -124.217 Base-Backbone interact. energy: 5.385 local terms energy: -202.806812 where: bonds (distance) C4'-P energy: -61.062 bonds (distance) P-C4' energy: -49.311 flat angles C4'-P-C4' energy: -49.893 flat angles P-C4'-P energy: -27.515 tors. eta vs tors. theta energy: -15.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -302.822930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.822930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.822930 (E_RNA) where: Base-Base interactions energy: -118.194 where: short stacking energy: -87.953 Base-Backbone interact. energy: 0.596 local terms energy: -185.224390 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -58.906 flat angles C4'-P-C4' energy: -48.803 flat angles P-C4'-P energy: -19.302 tors. eta vs tors. theta energy: 8.206 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: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1199.974687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.974687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.974687 (E_RNA) where: Base-Base interactions energy: -803.914 where: short stacking energy: -378.988 Base-Backbone interact. energy: -0.157 local terms energy: -395.904265 where: bonds (distance) C4'-P energy: -72.835 bonds (distance) P-C4' energy: -70.652 flat angles C4'-P-C4' energy: -75.259 flat angles P-C4'-P energy: -60.228 tors. eta vs tors. theta energy: -116.930 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: 4 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1130.168039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.168039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.168039 (E_RNA) where: Base-Base interactions energy: -753.150 where: short stacking energy: -340.570 Base-Backbone interact. energy: -1.618 local terms energy: -375.400588 where: bonds (distance) C4'-P energy: -65.446 bonds (distance) P-C4' energy: -73.672 flat angles C4'-P-C4' energy: -78.779 flat angles P-C4'-P energy: -51.841 tors. eta vs tors. theta energy: -105.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1003.057783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.057783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.057783 (E_RNA) where: Base-Base interactions energy: -655.464 where: short stacking energy: -317.541 Base-Backbone interact. energy: -0.686 local terms energy: -346.907541 where: bonds (distance) C4'-P energy: -65.022 bonds (distance) P-C4' energy: -73.056 flat angles C4'-P-C4' energy: -77.552 flat angles P-C4'-P energy: -46.584 tors. eta vs tors. theta energy: -84.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -938.828568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.828568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.828568 (E_RNA) where: Base-Base interactions energy: -602.926 where: short stacking energy: -288.666 Base-Backbone interact. energy: -0.386 local terms energy: -335.516717 where: bonds (distance) C4'-P energy: -68.418 bonds (distance) P-C4' energy: -70.545 flat angles C4'-P-C4' energy: -70.359 flat angles P-C4'-P energy: -44.975 tors. eta vs tors. theta energy: -81.219 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: 5, replica: 6 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -894.785742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.785742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.785742 (E_RNA) where: Base-Base interactions energy: -579.321 where: short stacking energy: -281.571 Base-Backbone interact. energy: -0.529 local terms energy: -314.936301 where: bonds (distance) C4'-P energy: -68.117 bonds (distance) P-C4' energy: -52.501 flat angles C4'-P-C4' energy: -71.605 flat angles P-C4'-P energy: -46.002 tors. eta vs tors. theta energy: -76.712 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: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -714.148284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.148284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.148284 (E_RNA) where: Base-Base interactions energy: -434.808 where: short stacking energy: -221.824 Base-Backbone interact. energy: 4.638 local terms energy: -283.978311 where: bonds (distance) C4'-P energy: -51.689 bonds (distance) P-C4' energy: -66.730 flat angles C4'-P-C4' energy: -71.355 flat angles P-C4'-P energy: -40.006 tors. eta vs tors. theta energy: -54.199 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: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -702.678506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.678506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.678506 (E_RNA) where: Base-Base interactions energy: -445.932 where: short stacking energy: -229.665 Base-Backbone interact. energy: -0.741 local terms energy: -256.005197 where: bonds (distance) C4'-P energy: -46.088 bonds (distance) P-C4' energy: -68.680 flat angles C4'-P-C4' energy: -57.622 flat angles P-C4'-P energy: -39.040 tors. eta vs tors. theta energy: -44.576 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: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -615.890067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.890067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.890067 (E_RNA) where: Base-Base interactions energy: -353.326 where: short stacking energy: -177.767 Base-Backbone interact. energy: -0.718 local terms energy: -261.845996 where: bonds (distance) C4'-P energy: -57.439 bonds (distance) P-C4' energy: -76.171 flat angles C4'-P-C4' energy: -68.303 flat angles P-C4'-P energy: -32.054 tors. eta vs tors. theta energy: -27.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -474.920856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.920856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.920856 (E_RNA) where: Base-Base interactions energy: -254.760 where: short stacking energy: -132.580 Base-Backbone interact. energy: -1.426 local terms energy: -218.734684 where: bonds (distance) C4'-P energy: -58.703 bonds (distance) P-C4' energy: -59.662 flat angles C4'-P-C4' energy: -56.495 flat angles P-C4'-P energy: -28.326 tors. eta vs tors. theta energy: -15.549 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: 304 Temperature: 1.350000 Total energy: -295.790534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.790534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.790534 (E_RNA) where: Base-Base interactions energy: -96.579 where: short stacking energy: -79.669 Base-Backbone interact. energy: -0.563 local terms energy: -198.648129 where: bonds (distance) C4'-P energy: -64.548 bonds (distance) P-C4' energy: -66.906 flat angles C4'-P-C4' energy: -43.552 flat angles P-C4'-P energy: -31.162 tors. eta vs tors. theta energy: 7.520 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: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1191.506489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.506489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.506489 (E_RNA) where: Base-Base interactions energy: -798.221 where: short stacking energy: -369.179 Base-Backbone interact. energy: -0.717 local terms energy: -392.568404 where: bonds (distance) C4'-P energy: -68.044 bonds (distance) P-C4' energy: -63.551 flat angles C4'-P-C4' energy: -86.224 flat angles P-C4'-P energy: -59.019 tors. eta vs tors. theta energy: -115.730 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: 4 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1101.254181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.254181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.254181 (E_RNA) where: Base-Base interactions energy: -744.562 where: short stacking energy: -336.024 Base-Backbone interact. energy: -0.688 local terms energy: -356.004288 where: bonds (distance) C4'-P energy: -71.986 bonds (distance) P-C4' energy: -67.420 flat angles C4'-P-C4' energy: -71.062 flat angles P-C4'-P energy: -55.604 tors. eta vs tors. theta energy: -89.932 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: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -992.825768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.825768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.825768 (E_RNA) where: Base-Base interactions energy: -638.934 where: short stacking energy: -308.931 Base-Backbone interact. energy: 2.866 local terms energy: -356.758122 where: bonds (distance) C4'-P energy: -69.302 bonds (distance) P-C4' energy: -65.727 flat angles C4'-P-C4' energy: -74.368 flat angles P-C4'-P energy: -55.380 tors. eta vs tors. theta energy: -91.980 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: 6 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -956.484683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.484683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.484683 (E_RNA) where: Base-Base interactions energy: -631.219 where: short stacking energy: -314.627 Base-Backbone interact. energy: -0.701 local terms energy: -324.564347 where: bonds (distance) C4'-P energy: -64.121 bonds (distance) P-C4' energy: -64.662 flat angles C4'-P-C4' energy: -72.714 flat angles P-C4'-P energy: -39.900 tors. eta vs tors. theta energy: -83.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -913.029464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.029464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.029464 (E_RNA) where: Base-Base interactions energy: -592.592 where: short stacking energy: -288.280 Base-Backbone interact. energy: -1.334 local terms energy: -319.103462 where: bonds (distance) C4'-P energy: -64.429 bonds (distance) P-C4' energy: -65.778 flat angles C4'-P-C4' energy: -61.776 flat angles P-C4'-P energy: -52.304 tors. eta vs tors. theta energy: -74.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -726.211467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.211467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.211467 (E_RNA) where: Base-Base interactions energy: -462.032 where: short stacking energy: -237.213 Base-Backbone interact. energy: -0.464 local terms energy: -263.715512 where: bonds (distance) C4'-P energy: -54.367 bonds (distance) P-C4' energy: -52.126 flat angles C4'-P-C4' energy: -66.794 flat angles P-C4'-P energy: -37.521 tors. eta vs tors. theta energy: -52.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -741.613654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.613654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.613654 (E_RNA) where: Base-Base interactions energy: -485.621 where: short stacking energy: -218.866 Base-Backbone interact. energy: -1.551 local terms energy: -254.441591 where: bonds (distance) C4'-P energy: -58.372 bonds (distance) P-C4' energy: -56.059 flat angles C4'-P-C4' energy: -52.873 flat angles P-C4'-P energy: -43.021 tors. eta vs tors. theta energy: -44.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -581.157786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.157786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.157786 (E_RNA) where: Base-Base interactions energy: -335.886 where: short stacking energy: -159.488 Base-Backbone interact. energy: -1.156 local terms energy: -244.115497 where: bonds (distance) C4'-P energy: -45.987 bonds (distance) P-C4' energy: -66.968 flat angles C4'-P-C4' energy: -55.010 flat angles P-C4'-P energy: -33.968 tors. eta vs tors. theta energy: -42.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -453.466555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.466555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.466555 (E_RNA) where: Base-Base interactions energy: -243.273 where: short stacking energy: -119.161 Base-Backbone interact. energy: 4.448 local terms energy: -214.641125 where: bonds (distance) C4'-P energy: -60.046 bonds (distance) P-C4' energy: -63.276 flat angles C4'-P-C4' energy: -60.266 flat angles P-C4'-P energy: -30.007 tors. eta vs tors. theta energy: -1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -327.003946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.003946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.003946 (E_RNA) where: Base-Base interactions energy: -134.404 where: short stacking energy: -91.723 Base-Backbone interact. energy: 0.840 local terms energy: -193.440085 where: bonds (distance) C4'-P energy: -53.917 bonds (distance) P-C4' energy: -57.151 flat angles C4'-P-C4' energy: -40.151 flat angles P-C4'-P energy: -36.280 tors. eta vs tors. theta energy: -5.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1203.382237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.382237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.382237 (E_RNA) where: Base-Base interactions energy: -795.879 where: short stacking energy: -371.802 Base-Backbone interact. energy: -0.548 local terms energy: -406.955941 where: bonds (distance) C4'-P energy: -72.066 bonds (distance) P-C4' energy: -75.872 flat angles C4'-P-C4' energy: -86.223 flat angles P-C4'-P energy: -51.813 tors. eta vs tors. theta energy: -120.981 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: 4 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1107.008803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.008803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.008803 (E_RNA) where: Base-Base interactions energy: -747.223 where: short stacking energy: -344.211 Base-Backbone interact. energy: -2.199 local terms energy: -357.587188 where: bonds (distance) C4'-P energy: -64.103 bonds (distance) P-C4' energy: -59.005 flat angles C4'-P-C4' energy: -77.702 flat angles P-C4'-P energy: -58.981 tors. eta vs tors. theta energy: -97.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1008.407601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.407601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.407601 (E_RNA) where: Base-Base interactions energy: -681.184 where: short stacking energy: -337.489 Base-Backbone interact. energy: 0.325 local terms energy: -327.549069 where: bonds (distance) C4'-P energy: -51.622 bonds (distance) P-C4' energy: -74.950 flat angles C4'-P-C4' energy: -60.029 flat angles P-C4'-P energy: -44.557 tors. eta vs tors. theta energy: -96.392 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: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -952.224214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.224214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.224214 (E_RNA) where: Base-Base interactions energy: -625.831 where: short stacking energy: -307.084 Base-Backbone interact. energy: 1.363 local terms energy: -327.755730 where: bonds (distance) C4'-P energy: -59.415 bonds (distance) P-C4' energy: -59.441 flat angles C4'-P-C4' energy: -76.011 flat angles P-C4'-P energy: -48.914 tors. eta vs tors. theta energy: -83.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -897.361140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.361140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.361140 (E_RNA) where: Base-Base interactions energy: -590.905 where: short stacking energy: -274.571 Base-Backbone interact. energy: -2.020 local terms energy: -304.435618 where: bonds (distance) C4'-P energy: -52.390 bonds (distance) P-C4' energy: -68.987 flat angles C4'-P-C4' energy: -75.849 flat angles P-C4'-P energy: -33.104 tors. eta vs tors. theta energy: -74.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -697.856233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.856233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.856233 (E_RNA) where: Base-Base interactions energy: -428.447 where: short stacking energy: -209.592 Base-Backbone interact. energy: 3.203 local terms energy: -272.611853 where: bonds (distance) C4'-P energy: -55.870 bonds (distance) P-C4' energy: -57.874 flat angles C4'-P-C4' energy: -64.573 flat angles P-C4'-P energy: -44.558 tors. eta vs tors. theta energy: -49.736 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: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -757.119640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.119640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.119640 (E_RNA) where: Base-Base interactions energy: -463.382 where: short stacking energy: -217.920 Base-Backbone interact. energy: -0.992 local terms energy: -292.745689 where: bonds (distance) C4'-P energy: -70.681 bonds (distance) P-C4' energy: -60.629 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -39.824 tors. eta vs tors. theta energy: -49.898 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: 3 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -598.530468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.530468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.530468 (E_RNA) where: Base-Base interactions energy: -353.541 where: short stacking energy: -185.691 Base-Backbone interact. energy: 2.552 local terms energy: -247.541086 where: bonds (distance) C4'-P energy: -57.182 bonds (distance) P-C4' energy: -42.044 flat angles C4'-P-C4' energy: -68.082 flat angles P-C4'-P energy: -36.027 tors. eta vs tors. theta energy: -44.207 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: 2 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -492.334893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.334893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.334893 (E_RNA) where: Base-Base interactions energy: -276.994 where: short stacking energy: -134.710 Base-Backbone interact. energy: -1.900 local terms energy: -213.440494 where: bonds (distance) C4'-P energy: -63.098 bonds (distance) P-C4' energy: -58.666 flat angles C4'-P-C4' energy: -51.240 flat angles P-C4'-P energy: -38.650 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -278.219351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.219351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.219351 (E_RNA) where: Base-Base interactions energy: -124.734 where: short stacking energy: -74.330 Base-Backbone interact. energy: 3.175 local terms energy: -156.660199 where: bonds (distance) C4'-P energy: -57.649 bonds (distance) P-C4' energy: -54.107 flat angles C4'-P-C4' energy: -49.275 flat angles P-C4'-P energy: -17.409 tors. eta vs tors. theta energy: 21.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1198.344321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.344321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.344321 (E_RNA) where: Base-Base interactions energy: -791.978 where: short stacking energy: -372.517 Base-Backbone interact. energy: 2.011 local terms energy: -408.377526 where: bonds (distance) C4'-P energy: -66.656 bonds (distance) P-C4' energy: -84.590 flat angles C4'-P-C4' energy: -81.213 flat angles P-C4'-P energy: -56.757 tors. eta vs tors. theta energy: -119.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1112.480343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.480343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.480343 (E_RNA) where: Base-Base interactions energy: -745.652 where: short stacking energy: -331.954 Base-Backbone interact. energy: -3.070 local terms energy: -363.758660 where: bonds (distance) C4'-P energy: -66.472 bonds (distance) P-C4' energy: -73.466 flat angles C4'-P-C4' energy: -74.323 flat angles P-C4'-P energy: -55.021 tors. eta vs tors. theta energy: -94.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -994.225427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.225427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.225427 (E_RNA) where: Base-Base interactions energy: -673.631 where: short stacking energy: -317.854 Base-Backbone interact. energy: -1.974 local terms energy: -318.620369 where: bonds (distance) C4'-P energy: -53.898 bonds (distance) P-C4' energy: -65.194 flat angles C4'-P-C4' energy: -65.883 flat angles P-C4'-P energy: -49.920 tors. eta vs tors. theta energy: -83.726 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: 6 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -967.299259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.299259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.299259 (E_RNA) where: Base-Base interactions energy: -621.724 where: short stacking energy: -295.093 Base-Backbone interact. energy: -0.434 local terms energy: -345.140973 where: bonds (distance) C4'-P energy: -62.887 bonds (distance) P-C4' energy: -76.612 flat angles C4'-P-C4' energy: -60.059 flat angles P-C4'-P energy: -55.245 tors. eta vs tors. theta energy: -90.339 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: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -899.774170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.774170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.774170 (E_RNA) where: Base-Base interactions energy: -598.002 where: short stacking energy: -276.297 Base-Backbone interact. energy: -1.044 local terms energy: -300.727908 where: bonds (distance) C4'-P energy: -52.008 bonds (distance) P-C4' energy: -69.014 flat angles C4'-P-C4' energy: -67.626 flat angles P-C4'-P energy: -40.617 tors. eta vs tors. theta energy: -71.464 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: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -774.510915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.510915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.510915 (E_RNA) where: Base-Base interactions energy: -468.579 where: short stacking energy: -222.071 Base-Backbone interact. energy: 0.020 local terms energy: -305.951691 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -68.063 flat angles C4'-P-C4' energy: -62.258 flat angles P-C4'-P energy: -53.204 tors. eta vs tors. theta energy: -59.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -657.354874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.354874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.354874 (E_RNA) where: Base-Base interactions energy: -391.211 where: short stacking energy: -179.331 Base-Backbone interact. energy: -0.788 local terms energy: -265.355305 where: bonds (distance) C4'-P energy: -49.384 bonds (distance) P-C4' energy: -62.840 flat angles C4'-P-C4' energy: -57.517 flat angles P-C4'-P energy: -47.705 tors. eta vs tors. theta energy: -47.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -557.463317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.463317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.463317 (E_RNA) where: Base-Base interactions energy: -334.301 where: short stacking energy: -192.403 Base-Backbone interact. energy: -1.466 local terms energy: -221.696173 where: bonds (distance) C4'-P energy: -45.944 bonds (distance) P-C4' energy: -57.890 flat angles C4'-P-C4' energy: -57.433 flat angles P-C4'-P energy: -28.338 tors. eta vs tors. theta energy: -32.090 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: 3 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -566.001932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.001932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.001932 (E_RNA) where: Base-Base interactions energy: -333.091 where: short stacking energy: -158.587 Base-Backbone interact. energy: -0.838 local terms energy: -232.072417 where: bonds (distance) C4'-P energy: -51.581 bonds (distance) P-C4' energy: -56.333 flat angles C4'-P-C4' energy: -61.238 flat angles P-C4'-P energy: -39.061 tors. eta vs tors. theta energy: -23.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -357.830540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.830540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.830540 (E_RNA) where: Base-Base interactions energy: -164.770 where: short stacking energy: -118.763 Base-Backbone interact. energy: -0.708 local terms energy: -192.352149 where: bonds (distance) C4'-P energy: -50.882 bonds (distance) P-C4' energy: -53.131 flat angles C4'-P-C4' energy: -56.663 flat angles P-C4'-P energy: -19.982 tors. eta vs tors. theta energy: -11.694 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: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1174.048647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.048647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.048647 (E_RNA) where: Base-Base interactions energy: -791.018 where: short stacking energy: -373.020 Base-Backbone interact. energy: -1.043 local terms energy: -381.987286 where: bonds (distance) C4'-P energy: -59.148 bonds (distance) P-C4' energy: -71.235 flat angles C4'-P-C4' energy: -84.960 flat angles P-C4'-P energy: -51.984 tors. eta vs tors. theta energy: -114.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1119.895453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.895453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.895453 (E_RNA) where: Base-Base interactions energy: -750.344 where: short stacking energy: -337.351 Base-Backbone interact. energy: -3.945 local terms energy: -365.606431 where: bonds (distance) C4'-P energy: -79.163 bonds (distance) P-C4' energy: -63.169 flat angles C4'-P-C4' energy: -79.389 flat angles P-C4'-P energy: -54.898 tors. eta vs tors. theta energy: -88.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1000.116641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.116641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.116641 (E_RNA) where: Base-Base interactions energy: -676.669 where: short stacking energy: -310.444 Base-Backbone interact. energy: -0.091 local terms energy: -323.356520 where: bonds (distance) C4'-P energy: -66.673 bonds (distance) P-C4' energy: -60.226 flat angles C4'-P-C4' energy: -65.915 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -87.672 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: 1 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -931.654317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.654317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.654317 (E_RNA) where: Base-Base interactions energy: -624.088 where: short stacking energy: -276.433 Base-Backbone interact. energy: -1.399 local terms energy: -306.167321 where: bonds (distance) C4'-P energy: -68.660 bonds (distance) P-C4' energy: -58.008 flat angles C4'-P-C4' energy: -60.763 flat angles P-C4'-P energy: -38.579 tors. eta vs tors. theta energy: -80.157 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: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -903.246789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.246789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.246789 (E_RNA) where: Base-Base interactions energy: -612.802 where: short stacking energy: -258.274 Base-Backbone interact. energy: 3.089 local terms energy: -293.533879 where: bonds (distance) C4'-P energy: -58.322 bonds (distance) P-C4' energy: -59.902 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -38.135 tors. eta vs tors. theta energy: -69.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -780.583157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.583157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.583157 (E_RNA) where: Base-Base interactions energy: -514.875 where: short stacking energy: -242.583 Base-Backbone interact. energy: -1.082 local terms energy: -264.626036 where: bonds (distance) C4'-P energy: -42.589 bonds (distance) P-C4' energy: -61.060 flat angles C4'-P-C4' energy: -60.044 flat angles P-C4'-P energy: -42.338 tors. eta vs tors. theta energy: -58.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -673.906058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.906058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.906058 (E_RNA) where: Base-Base interactions energy: -386.085 where: short stacking energy: -192.733 Base-Backbone interact. energy: -0.887 local terms energy: -286.934595 where: bonds (distance) C4'-P energy: -61.154 bonds (distance) P-C4' energy: -67.844 flat angles C4'-P-C4' energy: -67.927 flat angles P-C4'-P energy: -42.889 tors. eta vs tors. theta energy: -47.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -569.042037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.042037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.042037 (E_RNA) where: Base-Base interactions energy: -340.182 where: short stacking energy: -152.353 Base-Backbone interact. energy: 0.106 local terms energy: -228.965646 where: bonds (distance) C4'-P energy: -53.630 bonds (distance) P-C4' energy: -57.415 flat angles C4'-P-C4' energy: -56.658 flat angles P-C4'-P energy: -39.355 tors. eta vs tors. theta energy: -21.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -642.065574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.065574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.065574 (E_RNA) where: Base-Base interactions energy: -403.536 where: short stacking energy: -192.084 Base-Backbone interact. energy: -0.065 local terms energy: -238.464504 where: bonds (distance) C4'-P energy: -50.332 bonds (distance) P-C4' energy: -51.256 flat angles C4'-P-C4' energy: -53.699 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -41.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -331.113696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.113696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.113696 (E_RNA) where: Base-Base interactions energy: -142.382 where: short stacking energy: -103.728 Base-Backbone interact. energy: 4.272 local terms energy: -193.003481 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -61.901 flat angles C4'-P-C4' energy: -48.845 flat angles P-C4'-P energy: -35.207 tors. eta vs tors. theta energy: 10.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1175.057356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.057356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.057356 (E_RNA) where: Base-Base interactions energy: -800.340 where: short stacking energy: -373.962 Base-Backbone interact. energy: -1.418 local terms energy: -373.298878 where: bonds (distance) C4'-P energy: -63.432 bonds (distance) P-C4' energy: -70.300 flat angles C4'-P-C4' energy: -72.355 flat angles P-C4'-P energy: -56.194 tors. eta vs tors. theta energy: -111.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1102.268213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.268213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.268213 (E_RNA) where: Base-Base interactions energy: -738.552 where: short stacking energy: -333.877 Base-Backbone interact. energy: -1.794 local terms energy: -361.922174 where: bonds (distance) C4'-P energy: -65.630 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -80.815 flat angles P-C4'-P energy: -44.706 tors. eta vs tors. theta energy: -97.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1002.397824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.397824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.397824 (E_RNA) where: Base-Base interactions energy: -659.780 where: short stacking energy: -324.361 Base-Backbone interact. energy: -0.100 local terms energy: -342.517853 where: bonds (distance) C4'-P energy: -65.854 bonds (distance) P-C4' energy: -69.575 flat angles C4'-P-C4' energy: -68.959 flat angles P-C4'-P energy: -51.935 tors. eta vs tors. theta energy: -86.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -958.076638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.076638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.076638 (E_RNA) where: Base-Base interactions energy: -636.092 where: short stacking energy: -318.377 Base-Backbone interact. energy: -0.623 local terms energy: -321.361463 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -64.569 flat angles C4'-P-C4' energy: -71.313 flat angles P-C4'-P energy: -35.872 tors. eta vs tors. theta energy: -89.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -889.481935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.481935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.481935 (E_RNA) where: Base-Base interactions energy: -597.590 where: short stacking energy: -263.274 Base-Backbone interact. energy: -1.921 local terms energy: -289.971343 where: bonds (distance) C4'-P energy: -53.156 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -63.317 flat angles P-C4'-P energy: -40.476 tors. eta vs tors. theta energy: -68.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -767.985152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.985152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.985152 (E_RNA) where: Base-Base interactions energy: -501.264 where: short stacking energy: -218.105 Base-Backbone interact. energy: -1.959 local terms energy: -264.761385 where: bonds (distance) C4'-P energy: -51.295 bonds (distance) P-C4' energy: -57.590 flat angles C4'-P-C4' energy: -65.287 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -43.223 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: 5 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -682.994247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.994247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.994247 (E_RNA) where: Base-Base interactions energy: -429.968 where: short stacking energy: -222.047 Base-Backbone interact. energy: 3.375 local terms energy: -256.401108 where: bonds (distance) C4'-P energy: -55.439 bonds (distance) P-C4' energy: -66.977 flat angles C4'-P-C4' energy: -53.032 flat angles P-C4'-P energy: -35.754 tors. eta vs tors. theta energy: -45.200 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: 3 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -646.404437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.404437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.404437 (E_RNA) where: Base-Base interactions energy: -410.926 where: short stacking energy: -183.112 Base-Backbone interact. energy: 1.209 local terms energy: -236.687089 where: bonds (distance) C4'-P energy: -54.780 bonds (distance) P-C4' energy: -60.840 flat angles C4'-P-C4' energy: -50.404 flat angles P-C4'-P energy: -37.097 tors. eta vs tors. theta energy: -33.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -474.553838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.553838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.553838 (E_RNA) where: Base-Base interactions energy: -275.839 where: short stacking energy: -131.979 Base-Backbone interact. energy: 1.757 local terms energy: -200.472025 where: bonds (distance) C4'-P energy: -45.474 bonds (distance) P-C4' energy: -53.621 flat angles C4'-P-C4' energy: -55.096 flat angles P-C4'-P energy: -37.769 tors. eta vs tors. theta energy: -8.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -297.825608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.825608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.825608 (E_RNA) where: Base-Base interactions energy: -126.452 where: short stacking energy: -89.288 Base-Backbone interact. energy: 0.336 local terms energy: -171.709571 where: bonds (distance) C4'-P energy: -59.832 bonds (distance) P-C4' energy: -63.781 flat angles C4'-P-C4' energy: -40.314 flat angles P-C4'-P energy: -19.578 tors. eta vs tors. theta energy: 11.795 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: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1184.538160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.538160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.538160 (E_RNA) where: Base-Base interactions energy: -786.351 where: short stacking energy: -374.089 Base-Backbone interact. energy: 0.105 local terms energy: -398.292954 where: bonds (distance) C4'-P energy: -67.272 bonds (distance) P-C4' energy: -80.015 flat angles C4'-P-C4' energy: -78.302 flat angles P-C4'-P energy: -52.064 tors. eta vs tors. theta energy: -120.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1073.183371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.183371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.183371 (E_RNA) where: Base-Base interactions energy: -715.151 where: short stacking energy: -329.244 Base-Backbone interact. energy: -1.900 local terms energy: -356.131967 where: bonds (distance) C4'-P energy: -58.160 bonds (distance) P-C4' energy: -72.781 flat angles C4'-P-C4' energy: -74.913 flat angles P-C4'-P energy: -50.625 tors. eta vs tors. theta energy: -99.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1032.548272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.548272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.548272 (E_RNA) where: Base-Base interactions energy: -664.522 where: short stacking energy: -337.273 Base-Backbone interact. energy: 2.884 local terms energy: -370.910069 where: bonds (distance) C4'-P energy: -69.829 bonds (distance) P-C4' energy: -67.934 flat angles C4'-P-C4' energy: -77.367 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -102.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -964.855802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.855802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.855802 (E_RNA) where: Base-Base interactions energy: -631.690 where: short stacking energy: -286.293 Base-Backbone interact. energy: -1.659 local terms energy: -331.506759 where: bonds (distance) C4'-P energy: -57.233 bonds (distance) P-C4' energy: -61.714 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -50.884 tors. eta vs tors. theta energy: -87.843 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: 310 Temperature: 1.100000 Total energy: -906.383199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.383199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.383199 (E_RNA) where: Base-Base interactions energy: -605.211 where: short stacking energy: -279.306 Base-Backbone interact. energy: -0.758 local terms energy: -300.414711 where: bonds (distance) C4'-P energy: -48.692 bonds (distance) P-C4' energy: -55.354 flat angles C4'-P-C4' energy: -71.702 flat angles P-C4'-P energy: -45.748 tors. eta vs tors. theta energy: -78.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -740.889253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.889253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.889253 (E_RNA) where: Base-Base interactions energy: -478.321 where: short stacking energy: -212.396 Base-Backbone interact. energy: -0.387 local terms energy: -262.181134 where: bonds (distance) C4'-P energy: -67.694 bonds (distance) P-C4' energy: -67.270 flat angles C4'-P-C4' energy: -60.843 flat angles P-C4'-P energy: -30.561 tors. eta vs tors. theta energy: -35.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -700.898757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.898757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.898757 (E_RNA) where: Base-Base interactions energy: -454.642 where: short stacking energy: -205.465 Base-Backbone interact. energy: -0.182 local terms energy: -246.074271 where: bonds (distance) C4'-P energy: -53.107 bonds (distance) P-C4' energy: -66.620 flat angles C4'-P-C4' energy: -52.930 flat angles P-C4'-P energy: -26.028 tors. eta vs tors. theta energy: -47.390 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: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -670.646451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.646451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.646451 (E_RNA) where: Base-Base interactions energy: -432.161 where: short stacking energy: -196.066 Base-Backbone interact. energy: 1.072 local terms energy: -239.556894 where: bonds (distance) C4'-P energy: -48.603 bonds (distance) P-C4' energy: -53.292 flat angles C4'-P-C4' energy: -67.135 flat angles P-C4'-P energy: -39.967 tors. eta vs tors. theta energy: -30.560 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: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -403.865858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.865858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.865858 (E_RNA) where: Base-Base interactions energy: -195.428 where: short stacking energy: -116.502 Base-Backbone interact. energy: -1.385 local terms energy: -207.052901 where: bonds (distance) C4'-P energy: -56.441 bonds (distance) P-C4' energy: -61.801 flat angles C4'-P-C4' energy: -46.017 flat angles P-C4'-P energy: -38.912 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -269.705156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.705156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.705156 (E_RNA) where: Base-Base interactions energy: -111.956 where: short stacking energy: -85.122 Base-Backbone interact. energy: -0.822 local terms energy: -156.927347 where: bonds (distance) C4'-P energy: -51.585 bonds (distance) P-C4' energy: -49.144 flat angles C4'-P-C4' energy: -47.288 flat angles P-C4'-P energy: -19.878 tors. eta vs tors. theta energy: 10.968 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: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1181.347168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.347168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.347168 (E_RNA) where: Base-Base interactions energy: -798.908 where: short stacking energy: -398.687 Base-Backbone interact. energy: -0.935 local terms energy: -381.504133 where: bonds (distance) C4'-P energy: -67.929 bonds (distance) P-C4' energy: -74.250 flat angles C4'-P-C4' energy: -76.678 flat angles P-C4'-P energy: -50.724 tors. eta vs tors. theta energy: -111.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1097.660022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.660022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.660022 (E_RNA) where: Base-Base interactions energy: -729.898 where: short stacking energy: -325.217 Base-Backbone interact. energy: -4.231 local terms energy: -363.531550 where: bonds (distance) C4'-P energy: -69.909 bonds (distance) P-C4' energy: -72.084 flat angles C4'-P-C4' energy: -82.126 flat angles P-C4'-P energy: -50.593 tors. eta vs tors. theta energy: -88.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1012.059773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.059773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.059773 (E_RNA) where: Base-Base interactions energy: -641.703 where: short stacking energy: -323.540 Base-Backbone interact. energy: 0.584 local terms energy: -370.941042 where: bonds (distance) C4'-P energy: -68.979 bonds (distance) P-C4' energy: -78.436 flat angles C4'-P-C4' energy: -76.002 flat angles P-C4'-P energy: -52.900 tors. eta vs tors. theta energy: -94.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -943.105611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.105611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.105611 (E_RNA) where: Base-Base interactions energy: -618.517 where: short stacking energy: -297.716 Base-Backbone interact. energy: -0.123 local terms energy: -324.464925 where: bonds (distance) C4'-P energy: -71.287 bonds (distance) P-C4' energy: -54.778 flat angles C4'-P-C4' energy: -75.880 flat angles P-C4'-P energy: -51.563 tors. eta vs tors. theta energy: -70.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -872.389650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.389650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.389650 (E_RNA) where: Base-Base interactions energy: -566.062 where: short stacking energy: -259.295 Base-Backbone interact. energy: -1.149 local terms energy: -305.178706 where: bonds (distance) C4'-P energy: -56.725 bonds (distance) P-C4' energy: -64.179 flat angles C4'-P-C4' energy: -68.573 flat angles P-C4'-P energy: -43.350 tors. eta vs tors. theta energy: -72.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -778.453186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.453186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.453186 (E_RNA) where: Base-Base interactions energy: -506.344 where: short stacking energy: -236.477 Base-Backbone interact. energy: 0.646 local terms energy: -272.754791 where: bonds (distance) C4'-P energy: -60.988 bonds (distance) P-C4' energy: -58.664 flat angles C4'-P-C4' energy: -62.196 flat angles P-C4'-P energy: -32.042 tors. eta vs tors. theta energy: -58.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -752.870856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.870856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.870856 (E_RNA) where: Base-Base interactions energy: -483.904 where: short stacking energy: -225.445 Base-Backbone interact. energy: -1.662 local terms energy: -267.305140 where: bonds (distance) C4'-P energy: -58.313 bonds (distance) P-C4' energy: -64.054 flat angles C4'-P-C4' energy: -61.100 flat angles P-C4'-P energy: -36.387 tors. eta vs tors. theta energy: -47.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -701.423692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.423692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.423692 (E_RNA) where: Base-Base interactions energy: -441.531 where: short stacking energy: -224.547 Base-Backbone interact. energy: 1.187 local terms energy: -261.080251 where: bonds (distance) C4'-P energy: -56.400 bonds (distance) P-C4' energy: -57.225 flat angles C4'-P-C4' energy: -53.150 flat angles P-C4'-P energy: -40.083 tors. eta vs tors. theta energy: -54.222 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: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -393.661663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.661663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.661663 (E_RNA) where: Base-Base interactions energy: -197.277 where: short stacking energy: -114.050 Base-Backbone interact. energy: -1.003 local terms energy: -195.382495 where: bonds (distance) C4'-P energy: -55.843 bonds (distance) P-C4' energy: -62.727 flat angles C4'-P-C4' energy: -45.700 flat angles P-C4'-P energy: -27.057 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -276.668894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.668894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.668894 (E_RNA) where: Base-Base interactions energy: -92.936 where: short stacking energy: -83.694 Base-Backbone interact. energy: -0.769 local terms energy: -182.963744 where: bonds (distance) C4'-P energy: -51.677 bonds (distance) P-C4' energy: -44.397 flat angles C4'-P-C4' energy: -59.084 flat angles P-C4'-P energy: -36.869 tors. eta vs tors. theta energy: 9.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1205.360966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.360966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.360966 (E_RNA) where: Base-Base interactions energy: -820.081 where: short stacking energy: -389.041 Base-Backbone interact. energy: -1.216 local terms energy: -384.064642 where: bonds (distance) C4'-P energy: -61.894 bonds (distance) P-C4' energy: -62.895 flat angles C4'-P-C4' energy: -88.123 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -116.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1099.448666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.448666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.448666 (E_RNA) where: Base-Base interactions energy: -747.583 where: short stacking energy: -323.097 Base-Backbone interact. energy: -1.712 local terms energy: -350.153464 where: bonds (distance) C4'-P energy: -62.139 bonds (distance) P-C4' energy: -75.576 flat angles C4'-P-C4' energy: -75.478 flat angles P-C4'-P energy: -49.930 tors. eta vs tors. theta energy: -87.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1000.064511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.064511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.064511 (E_RNA) where: Base-Base interactions energy: -656.525 where: short stacking energy: -319.027 Base-Backbone interact. energy: 2.120 local terms energy: -345.659179 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -71.230 flat angles C4'-P-C4' energy: -75.343 flat angles P-C4'-P energy: -50.539 tors. eta vs tors. theta energy: -86.602 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: 312 Temperature: 1.050000 Total energy: -910.482131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.482131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.482131 (E_RNA) where: Base-Base interactions energy: -580.890 where: short stacking energy: -279.337 Base-Backbone interact. energy: -0.234 local terms energy: -329.358154 where: bonds (distance) C4'-P energy: -58.653 bonds (distance) P-C4' energy: -73.595 flat angles C4'-P-C4' energy: -75.102 flat angles P-C4'-P energy: -39.391 tors. eta vs tors. theta energy: -82.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -852.508855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.508855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.508855 (E_RNA) where: Base-Base interactions energy: -541.697 where: short stacking energy: -263.561 Base-Backbone interact. energy: 2.617 local terms energy: -313.428254 where: bonds (distance) C4'-P energy: -73.272 bonds (distance) P-C4' energy: -61.914 flat angles C4'-P-C4' energy: -70.044 flat angles P-C4'-P energy: -41.555 tors. eta vs tors. theta energy: -66.643 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: 312 Temperature: 1.150000 Total energy: -808.931337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.931337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.931337 (E_RNA) where: Base-Base interactions energy: -501.282 where: short stacking energy: -241.146 Base-Backbone interact. energy: -1.140 local terms energy: -306.509430 where: bonds (distance) C4'-P energy: -69.861 bonds (distance) P-C4' energy: -69.616 flat angles C4'-P-C4' energy: -69.548 flat angles P-C4'-P energy: -37.119 tors. eta vs tors. theta energy: -60.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -685.425321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.425321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.425321 (E_RNA) where: Base-Base interactions energy: -424.149 where: short stacking energy: -207.770 Base-Backbone interact. energy: -0.739 local terms energy: -260.537831 where: bonds (distance) C4'-P energy: -51.119 bonds (distance) P-C4' energy: -50.985 flat angles C4'-P-C4' energy: -61.345 flat angles P-C4'-P energy: -47.552 tors. eta vs tors. theta energy: -49.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -669.121677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.121677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.121677 (E_RNA) where: Base-Base interactions energy: -412.883 where: short stacking energy: -176.114 Base-Backbone interact. energy: -3.496 local terms energy: -252.742492 where: bonds (distance) C4'-P energy: -61.016 bonds (distance) P-C4' energy: -45.744 flat angles C4'-P-C4' energy: -67.894 flat angles P-C4'-P energy: -34.802 tors. eta vs tors. theta energy: -43.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -392.591096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.591096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.591096 (E_RNA) where: Base-Base interactions energy: -196.142 where: short stacking energy: -128.507 Base-Backbone interact. energy: -0.674 local terms energy: -195.774918 where: bonds (distance) C4'-P energy: -47.763 bonds (distance) P-C4' energy: -48.477 flat angles C4'-P-C4' energy: -54.676 flat angles P-C4'-P energy: -29.444 tors. eta vs tors. theta energy: -15.415 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: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -292.451030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.451030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.451030 (E_RNA) where: Base-Base interactions energy: -97.693 where: short stacking energy: -83.908 Base-Backbone interact. energy: -0.066 local terms energy: -194.692026 where: bonds (distance) C4'-P energy: -54.787 bonds (distance) P-C4' energy: -48.201 flat angles C4'-P-C4' energy: -63.065 flat angles P-C4'-P energy: -32.385 tors. eta vs tors. theta energy: 3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1178.976410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.976410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.976410 (E_RNA) where: Base-Base interactions energy: -777.113 where: short stacking energy: -375.424 Base-Backbone interact. energy: -0.126 local terms energy: -401.737004 where: bonds (distance) C4'-P energy: -67.419 bonds (distance) P-C4' energy: -73.769 flat angles C4'-P-C4' energy: -87.641 flat angles P-C4'-P energy: -58.437 tors. eta vs tors. theta energy: -114.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1052.447488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.447488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.447488 (E_RNA) where: Base-Base interactions energy: -678.017 where: short stacking energy: -327.554 Base-Backbone interact. energy: -0.655 local terms energy: -373.774984 where: bonds (distance) C4'-P energy: -76.901 bonds (distance) P-C4' energy: -71.848 flat angles C4'-P-C4' energy: -78.895 flat angles P-C4'-P energy: -56.673 tors. eta vs tors. theta energy: -89.458 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: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1072.500455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.500455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.500455 (E_RNA) where: Base-Base interactions energy: -732.589 where: short stacking energy: -329.142 Base-Backbone interact. energy: -3.912 local terms energy: -335.999641 where: bonds (distance) C4'-P energy: -61.448 bonds (distance) P-C4' energy: -68.376 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -45.460 tors. eta vs tors. theta energy: -92.638 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: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -937.683484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.683484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.683484 (E_RNA) where: Base-Base interactions energy: -621.373 where: short stacking energy: -276.136 Base-Backbone interact. energy: 0.713 local terms energy: -317.023709 where: bonds (distance) C4'-P energy: -62.127 bonds (distance) P-C4' energy: -56.924 flat angles C4'-P-C4' energy: -74.414 flat angles P-C4'-P energy: -41.034 tors. eta vs tors. theta energy: -82.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -867.693221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.693221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.693221 (E_RNA) where: Base-Base interactions energy: -567.718 where: short stacking energy: -260.045 Base-Backbone interact. energy: -1.135 local terms energy: -298.839681 where: bonds (distance) C4'-P energy: -72.018 bonds (distance) P-C4' energy: -60.784 flat angles C4'-P-C4' energy: -58.512 flat angles P-C4'-P energy: -39.281 tors. eta vs tors. theta energy: -68.244 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: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -825.571476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.571476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.571476 (E_RNA) where: Base-Base interactions energy: -545.113 where: short stacking energy: -257.707 Base-Backbone interact. energy: 0.140 local terms energy: -280.598795 where: bonds (distance) C4'-P energy: -54.355 bonds (distance) P-C4' energy: -53.635 flat angles C4'-P-C4' energy: -68.257 flat angles P-C4'-P energy: -45.019 tors. eta vs tors. theta energy: -59.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -682.023119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.023119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.023119 (E_RNA) where: Base-Base interactions energy: -420.035 where: short stacking energy: -199.978 Base-Backbone interact. energy: -1.236 local terms energy: -260.752389 where: bonds (distance) C4'-P energy: -57.093 bonds (distance) P-C4' energy: -61.870 flat angles C4'-P-C4' energy: -67.466 flat angles P-C4'-P energy: -38.770 tors. eta vs tors. theta energy: -35.552 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: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -661.796009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.796009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.796009 (E_RNA) where: Base-Base interactions energy: -399.686 where: short stacking energy: -175.003 Base-Backbone interact. energy: -1.428 local terms energy: -260.682839 where: bonds (distance) C4'-P energy: -58.487 bonds (distance) P-C4' energy: -64.431 flat angles C4'-P-C4' energy: -60.826 flat angles P-C4'-P energy: -41.823 tors. eta vs tors. theta energy: -35.116 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: 2 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -393.584546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.584546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.584546 (E_RNA) where: Base-Base interactions energy: -175.638 where: short stacking energy: -113.779 Base-Backbone interact. energy: 0.606 local terms energy: -218.552467 where: bonds (distance) C4'-P energy: -55.674 bonds (distance) P-C4' energy: -64.800 flat angles C4'-P-C4' energy: -65.363 flat angles P-C4'-P energy: -30.729 tors. eta vs tors. theta energy: -1.987 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: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -294.299768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.299768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.299768 (E_RNA) where: Base-Base interactions energy: -102.148 where: short stacking energy: -82.446 Base-Backbone interact. energy: 0.586 local terms energy: -192.738367 where: bonds (distance) C4'-P energy: -65.872 bonds (distance) P-C4' energy: -53.064 flat angles C4'-P-C4' energy: -49.928 flat angles P-C4'-P energy: -20.075 tors. eta vs tors. theta energy: -3.799 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: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1161.214875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.214875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.214875 (E_RNA) where: Base-Base interactions energy: -775.450 where: short stacking energy: -361.951 Base-Backbone interact. energy: 0.652 local terms energy: -386.416917 where: bonds (distance) C4'-P energy: -75.787 bonds (distance) P-C4' energy: -64.598 flat angles C4'-P-C4' energy: -75.938 flat angles P-C4'-P energy: -57.733 tors. eta vs tors. theta energy: -112.361 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: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1035.545842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.545842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.545842 (E_RNA) where: Base-Base interactions energy: -682.996 where: short stacking energy: -333.556 Base-Backbone interact. energy: -1.667 local terms energy: -350.883112 where: bonds (distance) C4'-P energy: -65.719 bonds (distance) P-C4' energy: -71.091 flat angles C4'-P-C4' energy: -68.211 flat angles P-C4'-P energy: -58.722 tors. eta vs tors. theta energy: -87.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1070.125760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.125760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.125760 (E_RNA) where: Base-Base interactions energy: -732.296 where: short stacking energy: -338.274 Base-Backbone interact. energy: -1.048 local terms energy: -336.782264 where: bonds (distance) C4'-P energy: -48.745 bonds (distance) P-C4' energy: -69.210 flat angles C4'-P-C4' energy: -77.695 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -100.107 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: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -945.329791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.329791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.329791 (E_RNA) where: Base-Base interactions energy: -635.744 where: short stacking energy: -301.462 Base-Backbone interact. energy: 0.155 local terms energy: -309.740393 where: bonds (distance) C4'-P energy: -67.659 bonds (distance) P-C4' energy: -57.491 flat angles C4'-P-C4' energy: -61.410 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -74.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -862.242638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.242638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.242638 (E_RNA) where: Base-Base interactions energy: -575.586 where: short stacking energy: -252.223 Base-Backbone interact. energy: 1.278 local terms energy: -287.934566 where: bonds (distance) C4'-P energy: -60.739 bonds (distance) P-C4' energy: -70.799 flat angles C4'-P-C4' energy: -63.600 flat angles P-C4'-P energy: -39.717 tors. eta vs tors. theta energy: -53.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -848.515962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.515962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.515962 (E_RNA) where: Base-Base interactions energy: -557.178 where: short stacking energy: -267.312 Base-Backbone interact. energy: 2.329 local terms energy: -293.667484 where: bonds (distance) C4'-P energy: -55.172 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -72.710 flat angles P-C4'-P energy: -38.257 tors. eta vs tors. theta energy: -62.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -709.267868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.267868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.267868 (E_RNA) where: Base-Base interactions energy: -436.004 where: short stacking energy: -219.456 Base-Backbone interact. energy: 1.128 local terms energy: -274.391533 where: bonds (distance) C4'-P energy: -63.570 bonds (distance) P-C4' energy: -57.981 flat angles C4'-P-C4' energy: -64.534 flat angles P-C4'-P energy: -36.436 tors. eta vs tors. theta energy: -51.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -674.487082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.487082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.487082 (E_RNA) where: Base-Base interactions energy: -421.369 where: short stacking energy: -211.172 Base-Backbone interact. energy: -1.066 local terms energy: -252.051588 where: bonds (distance) C4'-P energy: -46.397 bonds (distance) P-C4' energy: -55.121 flat angles C4'-P-C4' energy: -64.092 flat angles P-C4'-P energy: -32.822 tors. eta vs tors. theta energy: -53.618 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: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -380.874131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.874131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.874131 (E_RNA) where: Base-Base interactions energy: -182.049 where: short stacking energy: -116.903 Base-Backbone interact. energy: -0.116 local terms energy: -198.708987 where: bonds (distance) C4'-P energy: -64.127 bonds (distance) P-C4' energy: -50.336 flat angles C4'-P-C4' energy: -44.772 flat angles P-C4'-P energy: -35.708 tors. eta vs tors. theta energy: -3.766 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: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -300.994218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.994218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.994218 (E_RNA) where: Base-Base interactions energy: -109.791 where: short stacking energy: -85.218 Base-Backbone interact. energy: 0.547 local terms energy: -191.749374 where: bonds (distance) C4'-P energy: -64.894 bonds (distance) P-C4' energy: -47.455 flat angles C4'-P-C4' energy: -47.253 flat angles P-C4'-P energy: -32.786 tors. eta vs tors. theta energy: 0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1195.134990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.134990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.134990 (E_RNA) where: Base-Base interactions energy: -796.215 where: short stacking energy: -383.655 Base-Backbone interact. energy: -0.606 local terms energy: -398.313058 where: bonds (distance) C4'-P energy: -64.625 bonds (distance) P-C4' energy: -79.044 flat angles C4'-P-C4' energy: -80.568 flat angles P-C4'-P energy: -59.392 tors. eta vs tors. theta energy: -114.683 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: 4 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1097.227487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.227487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.227487 (E_RNA) where: Base-Base interactions energy: -729.206 where: short stacking energy: -332.063 Base-Backbone interact. energy: 0.457 local terms energy: -368.479045 where: bonds (distance) C4'-P energy: -66.938 bonds (distance) P-C4' energy: -72.095 flat angles C4'-P-C4' energy: -75.718 flat angles P-C4'-P energy: -58.048 tors. eta vs tors. theta energy: -95.680 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: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1033.384268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.384268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.384268 (E_RNA) where: Base-Base interactions energy: -679.740 where: short stacking energy: -339.142 Base-Backbone interact. energy: 0.433 local terms energy: -354.078067 where: bonds (distance) C4'-P energy: -66.668 bonds (distance) P-C4' energy: -70.948 flat angles C4'-P-C4' energy: -74.253 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -97.728 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: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -957.075920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.075920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.075920 (E_RNA) where: Base-Base interactions energy: -644.902 where: short stacking energy: -311.328 Base-Backbone interact. energy: -0.118 local terms energy: -312.055659 where: bonds (distance) C4'-P energy: -55.988 bonds (distance) P-C4' energy: -62.666 flat angles C4'-P-C4' energy: -64.062 flat angles P-C4'-P energy: -46.051 tors. eta vs tors. theta energy: -83.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -868.085553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.085553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.085553 (E_RNA) where: Base-Base interactions energy: -583.785 where: short stacking energy: -248.049 Base-Backbone interact. energy: -1.906 local terms energy: -282.394758 where: bonds (distance) C4'-P energy: -65.582 bonds (distance) P-C4' energy: -68.320 flat angles C4'-P-C4' energy: -65.558 flat angles P-C4'-P energy: -30.938 tors. eta vs tors. theta energy: -51.997 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: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -816.086262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.086262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.086262 (E_RNA) where: Base-Base interactions energy: -539.911 where: short stacking energy: -254.946 Base-Backbone interact. energy: -0.432 local terms energy: -275.742650 where: bonds (distance) C4'-P energy: -46.536 bonds (distance) P-C4' energy: -58.119 flat angles C4'-P-C4' energy: -64.629 flat angles P-C4'-P energy: -40.007 tors. eta vs tors. theta energy: -66.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -696.306845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.306845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.306845 (E_RNA) where: Base-Base interactions energy: -427.559 where: short stacking energy: -208.465 Base-Backbone interact. energy: -1.969 local terms energy: -266.778961 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -70.799 flat angles C4'-P-C4' energy: -57.913 flat angles P-C4'-P energy: -34.567 tors. eta vs tors. theta energy: -42.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -634.081002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.081002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.081002 (E_RNA) where: Base-Base interactions energy: -383.529 where: short stacking energy: -175.947 Base-Backbone interact. energy: -1.662 local terms energy: -248.890286 where: bonds (distance) C4'-P energy: -60.547 bonds (distance) P-C4' energy: -72.074 flat angles C4'-P-C4' energy: -49.170 flat angles P-C4'-P energy: -36.960 tors. eta vs tors. theta energy: -30.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -425.485534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.485534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.485534 (E_RNA) where: Base-Base interactions energy: -214.047 where: short stacking energy: -135.207 Base-Backbone interact. energy: -0.871 local terms energy: -210.568118 where: bonds (distance) C4'-P energy: -53.050 bonds (distance) P-C4' energy: -67.709 flat angles C4'-P-C4' energy: -48.159 flat angles P-C4'-P energy: -30.055 tors. eta vs tors. theta energy: -11.595 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: 315 Temperature: 1.350000 Total energy: -283.165407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.165407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.165407 (E_RNA) where: Base-Base interactions energy: -108.599 where: short stacking energy: -83.205 Base-Backbone interact. energy: 1.935 local terms energy: -176.501433 where: bonds (distance) C4'-P energy: -57.088 bonds (distance) P-C4' energy: -57.270 flat angles C4'-P-C4' energy: -37.110 flat angles P-C4'-P energy: -29.208 tors. eta vs tors. theta energy: 4.175 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: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1182.214490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.214490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.214490 (E_RNA) where: Base-Base interactions energy: -790.622 where: short stacking energy: -369.729 Base-Backbone interact. energy: -1.393 local terms energy: -390.199356 where: bonds (distance) C4'-P energy: -73.221 bonds (distance) P-C4' energy: -72.226 flat angles C4'-P-C4' energy: -75.693 flat angles P-C4'-P energy: -56.508 tors. eta vs tors. theta energy: -112.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1103.599663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.599663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.599663 (E_RNA) where: Base-Base interactions energy: -745.712 where: short stacking energy: -347.568 Base-Backbone interact. energy: -0.212 local terms energy: -357.675106 where: bonds (distance) C4'-P energy: -71.646 bonds (distance) P-C4' energy: -58.901 flat angles C4'-P-C4' energy: -80.591 flat angles P-C4'-P energy: -57.851 tors. eta vs tors. theta energy: -88.685 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: 3, replica: 6 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1008.180963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.180963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.180963 (E_RNA) where: Base-Base interactions energy: -656.638 where: short stacking energy: -330.052 Base-Backbone interact. energy: -0.285 local terms energy: -351.258396 where: bonds (distance) C4'-P energy: -67.127 bonds (distance) P-C4' energy: -67.474 flat angles C4'-P-C4' energy: -78.694 flat angles P-C4'-P energy: -44.142 tors. eta vs tors. theta energy: -93.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -935.057546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.057546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.057546 (E_RNA) where: Base-Base interactions energy: -620.141 where: short stacking energy: -292.073 Base-Backbone interact. energy: -0.891 local terms energy: -314.024917 where: bonds (distance) C4'-P energy: -65.268 bonds (distance) P-C4' energy: -66.867 flat angles C4'-P-C4' energy: -62.268 flat angles P-C4'-P energy: -39.978 tors. eta vs tors. theta energy: -79.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -882.378562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.378562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.378562 (E_RNA) where: Base-Base interactions energy: -576.676 where: short stacking energy: -264.059 Base-Backbone interact. energy: -1.655 local terms energy: -304.047599 where: bonds (distance) C4'-P energy: -63.592 bonds (distance) P-C4' energy: -78.226 flat angles C4'-P-C4' energy: -62.531 flat angles P-C4'-P energy: -32.559 tors. eta vs tors. theta energy: -67.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -834.117040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.117040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.117040 (E_RNA) where: Base-Base interactions energy: -549.240 where: short stacking energy: -269.702 Base-Backbone interact. energy: -0.538 local terms energy: -284.338809 where: bonds (distance) C4'-P energy: -47.792 bonds (distance) P-C4' energy: -65.015 flat angles C4'-P-C4' energy: -64.384 flat angles P-C4'-P energy: -31.505 tors. eta vs tors. theta energy: -75.643 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: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -722.164779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.164779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.164779 (E_RNA) where: Base-Base interactions energy: -444.849 where: short stacking energy: -217.343 Base-Backbone interact. energy: 1.002 local terms energy: -278.317751 where: bonds (distance) C4'-P energy: -52.857 bonds (distance) P-C4' energy: -54.904 flat angles C4'-P-C4' energy: -70.509 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: -53.311 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: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -600.668151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.668151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.668151 (E_RNA) where: Base-Base interactions energy: -366.982 where: short stacking energy: -170.717 Base-Backbone interact. energy: -2.015 local terms energy: -231.670471 where: bonds (distance) C4'-P energy: -57.368 bonds (distance) P-C4' energy: -64.468 flat angles C4'-P-C4' energy: -48.418 flat angles P-C4'-P energy: -39.192 tors. eta vs tors. theta energy: -22.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -400.318064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.318064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.318064 (E_RNA) where: Base-Base interactions energy: -200.040 where: short stacking energy: -122.507 Base-Backbone interact. energy: 1.044 local terms energy: -201.321730 where: bonds (distance) C4'-P energy: -56.193 bonds (distance) P-C4' energy: -52.876 flat angles C4'-P-C4' energy: -62.019 flat angles P-C4'-P energy: -21.461 tors. eta vs tors. theta energy: -8.773 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: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -290.111748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.111748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.111748 (E_RNA) where: Base-Base interactions energy: -104.047 where: short stacking energy: -89.904 Base-Backbone interact. energy: -0.437 local terms energy: -185.627283 where: bonds (distance) C4'-P energy: -62.165 bonds (distance) P-C4' energy: -59.629 flat angles C4'-P-C4' energy: -37.563 flat angles P-C4'-P energy: -32.664 tors. eta vs tors. theta energy: 6.393 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: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1197.781223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.781223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.781223 (E_RNA) where: Base-Base interactions energy: -794.638 where: short stacking energy: -383.701 Base-Backbone interact. energy: -1.631 local terms energy: -401.512495 where: bonds (distance) C4'-P energy: -70.416 bonds (distance) P-C4' energy: -75.338 flat angles C4'-P-C4' energy: -79.812 flat angles P-C4'-P energy: -57.225 tors. eta vs tors. theta energy: -118.722 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: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1095.036138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.036138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.036138 (E_RNA) where: Base-Base interactions energy: -741.665 where: short stacking energy: -341.615 Base-Backbone interact. energy: -0.743 local terms energy: -352.627999 where: bonds (distance) C4'-P energy: -65.402 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -69.923 flat angles P-C4'-P energy: -51.152 tors. eta vs tors. theta energy: -99.149 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: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1014.779890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.779890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.779890 (E_RNA) where: Base-Base interactions energy: -674.823 where: short stacking energy: -337.694 Base-Backbone interact. energy: -0.566 local terms energy: -339.391391 where: bonds (distance) C4'-P energy: -67.612 bonds (distance) P-C4' energy: -64.273 flat angles C4'-P-C4' energy: -71.695 flat angles P-C4'-P energy: -44.597 tors. eta vs tors. theta energy: -91.214 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: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -959.243580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.243580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.243580 (E_RNA) where: Base-Base interactions energy: -627.399 where: short stacking energy: -286.275 Base-Backbone interact. energy: -0.160 local terms energy: -331.684797 where: bonds (distance) C4'-P energy: -72.159 bonds (distance) P-C4' energy: -69.849 flat angles C4'-P-C4' energy: -67.220 flat angles P-C4'-P energy: -38.534 tors. eta vs tors. theta energy: -83.922 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: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -901.588963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.588963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.588963 (E_RNA) where: Base-Base interactions energy: -603.640 where: short stacking energy: -270.947 Base-Backbone interact. energy: 1.045 local terms energy: -298.993351 where: bonds (distance) C4'-P energy: -57.797 bonds (distance) P-C4' energy: -70.616 flat angles C4'-P-C4' energy: -68.548 flat angles P-C4'-P energy: -34.739 tors. eta vs tors. theta energy: -67.294 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: 6, replica: 3 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -789.840333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.840333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.840333 (E_RNA) where: Base-Base interactions energy: -505.685 where: short stacking energy: -243.505 Base-Backbone interact. energy: -1.147 local terms energy: -283.008611 where: bonds (distance) C4'-P energy: -52.702 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -68.793 flat angles P-C4'-P energy: -41.562 tors. eta vs tors. theta energy: -53.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -663.860227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.860227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.860227 (E_RNA) where: Base-Base interactions energy: -404.998 where: short stacking energy: -195.611 Base-Backbone interact. energy: 0.808 local terms energy: -259.670614 where: bonds (distance) C4'-P energy: -59.610 bonds (distance) P-C4' energy: -58.202 flat angles C4'-P-C4' energy: -61.039 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -46.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -613.486753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.486753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.486753 (E_RNA) where: Base-Base interactions energy: -361.147 where: short stacking energy: -173.833 Base-Backbone interact. energy: -1.524 local terms energy: -250.815462 where: bonds (distance) C4'-P energy: -57.470 bonds (distance) P-C4' energy: -63.350 flat angles C4'-P-C4' energy: -49.913 flat angles P-C4'-P energy: -41.173 tors. eta vs tors. theta energy: -38.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -379.500101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.500101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.500101 (E_RNA) where: Base-Base interactions energy: -204.643 where: short stacking energy: -111.790 Base-Backbone interact. energy: -1.295 local terms energy: -173.561652 where: bonds (distance) C4'-P energy: -64.108 bonds (distance) P-C4' energy: -63.327 flat angles C4'-P-C4' energy: -43.676 flat angles P-C4'-P energy: -12.178 tors. eta vs tors. theta energy: 9.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -296.418136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.418136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.418136 (E_RNA) where: Base-Base interactions energy: -104.433 where: short stacking energy: -89.335 Base-Backbone interact. energy: -1.573 local terms energy: -190.412686 where: bonds (distance) C4'-P energy: -49.730 bonds (distance) P-C4' energy: -59.819 flat angles C4'-P-C4' energy: -56.980 flat angles P-C4'-P energy: -29.661 tors. eta vs tors. theta energy: 5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1175.123715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.123715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.123715 (E_RNA) where: Base-Base interactions energy: -797.066 where: short stacking energy: -386.295 Base-Backbone interact. energy: 0.524 local terms energy: -378.581924 where: bonds (distance) C4'-P energy: -71.475 bonds (distance) P-C4' energy: -71.898 flat angles C4'-P-C4' energy: -77.212 flat angles P-C4'-P energy: -46.205 tors. eta vs tors. theta energy: -111.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1103.944648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.944648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.944648 (E_RNA) where: Base-Base interactions energy: -736.716 where: short stacking energy: -345.635 Base-Backbone interact. energy: -4.031 local terms energy: -363.197301 where: bonds (distance) C4'-P energy: -70.934 bonds (distance) P-C4' energy: -69.886 flat angles C4'-P-C4' energy: -69.052 flat angles P-C4'-P energy: -57.156 tors. eta vs tors. theta energy: -96.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -972.977078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.977078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.977078 (E_RNA) where: Base-Base interactions energy: -641.750 where: short stacking energy: -306.102 Base-Backbone interact. energy: 0.605 local terms energy: -331.832398 where: bonds (distance) C4'-P energy: -59.754 bonds (distance) P-C4' energy: -69.479 flat angles C4'-P-C4' energy: -72.231 flat angles P-C4'-P energy: -53.632 tors. eta vs tors. theta energy: -76.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -985.593226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.593226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.593226 (E_RNA) where: Base-Base interactions energy: -650.763 where: short stacking energy: -325.654 Base-Backbone interact. energy: -0.753 local terms energy: -334.077401 where: bonds (distance) C4'-P energy: -62.658 bonds (distance) P-C4' energy: -49.332 flat angles C4'-P-C4' energy: -78.163 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -95.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -902.772093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.772093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.772093 (E_RNA) where: Base-Base interactions energy: -579.315 where: short stacking energy: -281.613 Base-Backbone interact. energy: -0.516 local terms energy: -322.940489 where: bonds (distance) C4'-P energy: -62.424 bonds (distance) P-C4' energy: -61.360 flat angles C4'-P-C4' energy: -76.646 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: -80.883 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: 6, replica: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -836.417780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.417780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.417780 (E_RNA) where: Base-Base interactions energy: -551.850 where: short stacking energy: -252.377 Base-Backbone interact. energy: 1.613 local terms energy: -286.181060 where: bonds (distance) C4'-P energy: -58.264 bonds (distance) P-C4' energy: -63.412 flat angles C4'-P-C4' energy: -70.225 flat angles P-C4'-P energy: -24.716 tors. eta vs tors. theta energy: -69.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -658.539991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.539991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.539991 (E_RNA) where: Base-Base interactions energy: -417.493 where: short stacking energy: -206.310 Base-Backbone interact. energy: 2.082 local terms energy: -243.128775 where: bonds (distance) C4'-P energy: -43.306 bonds (distance) P-C4' energy: -60.716 flat angles C4'-P-C4' energy: -64.780 flat angles P-C4'-P energy: -31.116 tors. eta vs tors. theta energy: -43.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -594.577308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.577308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.577308 (E_RNA) where: Base-Base interactions energy: -344.356 where: short stacking energy: -175.088 Base-Backbone interact. energy: 3.244 local terms energy: -253.464684 where: bonds (distance) C4'-P energy: -69.194 bonds (distance) P-C4' energy: -71.846 flat angles C4'-P-C4' energy: -52.306 flat angles P-C4'-P energy: -45.466 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: 9, replica: 2 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -416.263135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.263135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.263135 (E_RNA) where: Base-Base interactions energy: -210.641 where: short stacking energy: -127.594 Base-Backbone interact. energy: 0.014 local terms energy: -205.635802 where: bonds (distance) C4'-P energy: -51.176 bonds (distance) P-C4' energy: -60.996 flat angles C4'-P-C4' energy: -60.400 flat angles P-C4'-P energy: -13.401 tors. eta vs tors. theta energy: -19.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -278.263074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.263074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.263074 (E_RNA) where: Base-Base interactions energy: -114.417 where: short stacking energy: -91.803 Base-Backbone interact. energy: 0.200 local terms energy: -164.046234 where: bonds (distance) C4'-P energy: -45.881 bonds (distance) P-C4' energy: -60.835 flat angles C4'-P-C4' energy: -41.146 flat angles P-C4'-P energy: -18.136 tors. eta vs tors. theta energy: 1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1177.087883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.087883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.087883 (E_RNA) where: Base-Base interactions energy: -791.087 where: short stacking energy: -369.091 Base-Backbone interact. energy: -1.096 local terms energy: -384.905408 where: bonds (distance) C4'-P energy: -63.294 bonds (distance) P-C4' energy: -64.116 flat angles C4'-P-C4' energy: -81.489 flat angles P-C4'-P energy: -59.342 tors. eta vs tors. theta energy: -116.665 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: 4 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1079.281675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.281675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.281675 (E_RNA) where: Base-Base interactions energy: -728.380 where: short stacking energy: -338.824 Base-Backbone interact. energy: -1.294 local terms energy: -349.607376 where: bonds (distance) C4'-P energy: -63.887 bonds (distance) P-C4' energy: -70.123 flat angles C4'-P-C4' energy: -70.426 flat angles P-C4'-P energy: -52.515 tors. eta vs tors. theta energy: -92.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1009.173144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.173144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.173144 (E_RNA) where: Base-Base interactions energy: -668.379 where: short stacking energy: -317.786 Base-Backbone interact. energy: 1.126 local terms energy: -341.920870 where: bonds (distance) C4'-P energy: -68.607 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -67.535 flat angles P-C4'-P energy: -52.603 tors. eta vs tors. theta energy: -85.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -975.520796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.520796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.520796 (E_RNA) where: Base-Base interactions energy: -640.722 where: short stacking energy: -326.104 Base-Backbone interact. energy: -1.102 local terms energy: -333.696148 where: bonds (distance) C4'-P energy: -69.453 bonds (distance) P-C4' energy: -59.762 flat angles C4'-P-C4' energy: -71.734 flat angles P-C4'-P energy: -39.388 tors. eta vs tors. theta energy: -93.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -861.835425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.835425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.835425 (E_RNA) where: Base-Base interactions energy: -575.426 where: short stacking energy: -261.126 Base-Backbone interact. energy: 0.402 local terms energy: -286.811245 where: bonds (distance) C4'-P energy: -59.742 bonds (distance) P-C4' energy: -59.860 flat angles C4'-P-C4' energy: -63.791 flat angles P-C4'-P energy: -33.302 tors. eta vs tors. theta energy: -70.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -770.620746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.620746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.620746 (E_RNA) where: Base-Base interactions energy: -469.203 where: short stacking energy: -205.271 Base-Backbone interact. energy: -1.043 local terms energy: -300.375411 where: bonds (distance) C4'-P energy: -65.410 bonds (distance) P-C4' energy: -66.499 flat angles C4'-P-C4' energy: -71.443 flat angles P-C4'-P energy: -48.917 tors. eta vs tors. theta energy: -48.107 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: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -705.183314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.183314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.183314 (E_RNA) where: Base-Base interactions energy: -444.774 where: short stacking energy: -212.819 Base-Backbone interact. energy: -1.006 local terms energy: -259.403161 where: bonds (distance) C4'-P energy: -46.809 bonds (distance) P-C4' energy: -57.721 flat angles C4'-P-C4' energy: -63.240 flat angles P-C4'-P energy: -46.509 tors. eta vs tors. theta energy: -45.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -605.976525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.976525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.976525 (E_RNA) where: Base-Base interactions energy: -377.478 where: short stacking energy: -179.661 Base-Backbone interact. energy: -1.298 local terms energy: -227.200901 where: bonds (distance) C4'-P energy: -50.899 bonds (distance) P-C4' energy: -62.646 flat angles C4'-P-C4' energy: -47.839 flat angles P-C4'-P energy: -33.162 tors. eta vs tors. theta energy: -32.654 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: 9, replica: 2 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -395.361627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.361627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.361627 (E_RNA) where: Base-Base interactions energy: -186.150 where: short stacking energy: -98.005 Base-Backbone interact. energy: -0.273 local terms energy: -208.937950 where: bonds (distance) C4'-P energy: -66.497 bonds (distance) P-C4' energy: -56.026 flat angles C4'-P-C4' energy: -48.052 flat angles P-C4'-P energy: -38.330 tors. eta vs tors. theta energy: -0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -299.439538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.439538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.439538 (E_RNA) where: Base-Base interactions energy: -122.030 where: short stacking energy: -91.065 Base-Backbone interact. energy: -0.105 local terms energy: -177.304857 where: bonds (distance) C4'-P energy: -59.368 bonds (distance) P-C4' energy: -58.576 flat angles C4'-P-C4' energy: -48.556 flat angles P-C4'-P energy: -28.100 tors. eta vs tors. theta energy: 17.295 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: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1184.921012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.921012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.921012 (E_RNA) where: Base-Base interactions energy: -806.247 where: short stacking energy: -369.070 Base-Backbone interact. energy: 0.483 local terms energy: -379.156940 where: bonds (distance) C4'-P energy: -68.890 bonds (distance) P-C4' energy: -71.562 flat angles C4'-P-C4' energy: -73.428 flat angles P-C4'-P energy: -51.492 tors. eta vs tors. theta energy: -113.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1098.595696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.595696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.595696 (E_RNA) where: Base-Base interactions energy: -742.707 where: short stacking energy: -329.219 Base-Backbone interact. energy: -1.938 local terms energy: -353.950832 where: bonds (distance) C4'-P energy: -68.820 bonds (distance) P-C4' energy: -61.028 flat angles C4'-P-C4' energy: -76.449 flat angles P-C4'-P energy: -56.969 tors. eta vs tors. theta energy: -90.684 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: 3, replica: 1 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -989.181655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.181655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.181655 (E_RNA) where: Base-Base interactions energy: -660.685 where: short stacking energy: -316.889 Base-Backbone interact. energy: 0.049 local terms energy: -328.546104 where: bonds (distance) C4'-P energy: -65.331 bonds (distance) P-C4' energy: -63.664 flat angles C4'-P-C4' energy: -66.780 flat angles P-C4'-P energy: -50.348 tors. eta vs tors. theta energy: -82.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -967.015829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.015829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.015829 (E_RNA) where: Base-Base interactions energy: -635.995 where: short stacking energy: -303.510 Base-Backbone interact. energy: -0.389 local terms energy: -330.632405 where: bonds (distance) C4'-P energy: -73.615 bonds (distance) P-C4' energy: -63.354 flat angles C4'-P-C4' energy: -66.077 flat angles P-C4'-P energy: -44.402 tors. eta vs tors. theta energy: -83.185 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: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -885.723423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.723423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.723423 (E_RNA) where: Base-Base interactions energy: -577.409 where: short stacking energy: -266.709 Base-Backbone interact. energy: -0.008 local terms energy: -308.306103 where: bonds (distance) C4'-P energy: -47.593 bonds (distance) P-C4' energy: -66.499 flat angles C4'-P-C4' energy: -71.347 flat angles P-C4'-P energy: -42.919 tors. eta vs tors. theta energy: -79.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -756.287359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.287359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.287359 (E_RNA) where: Base-Base interactions energy: -480.175 where: short stacking energy: -252.555 Base-Backbone interact. energy: -1.610 local terms energy: -274.502371 where: bonds (distance) C4'-P energy: -54.671 bonds (distance) P-C4' energy: -59.974 flat angles C4'-P-C4' energy: -66.295 flat angles P-C4'-P energy: -35.637 tors. eta vs tors. theta energy: -57.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -676.649866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.649866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.649866 (E_RNA) where: Base-Base interactions energy: -414.028 where: short stacking energy: -199.579 Base-Backbone interact. energy: -0.010 local terms energy: -262.610884 where: bonds (distance) C4'-P energy: -54.575 bonds (distance) P-C4' energy: -65.119 flat angles C4'-P-C4' energy: -64.216 flat angles P-C4'-P energy: -32.184 tors. eta vs tors. theta energy: -46.517 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: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -621.053050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.053050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.053050 (E_RNA) where: Base-Base interactions energy: -380.272 where: short stacking energy: -170.308 Base-Backbone interact. energy: 5.815 local terms energy: -246.595829 where: bonds (distance) C4'-P energy: -46.334 bonds (distance) P-C4' energy: -69.625 flat angles C4'-P-C4' energy: -69.335 flat angles P-C4'-P energy: -25.444 tors. eta vs tors. theta energy: -35.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -398.807711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.807711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.807711 (E_RNA) where: Base-Base interactions energy: -215.765 where: short stacking energy: -110.938 Base-Backbone interact. energy: -1.276 local terms energy: -181.766447 where: bonds (distance) C4'-P energy: -42.054 bonds (distance) P-C4' energy: -56.225 flat angles C4'-P-C4' energy: -57.826 flat angles P-C4'-P energy: -22.291 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -300.925545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.925545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.925545 (E_RNA) where: Base-Base interactions energy: -82.530 where: short stacking energy: -78.607 Base-Backbone interact. energy: -1.769 local terms energy: -216.626745 where: bonds (distance) C4'-P energy: -62.773 bonds (distance) P-C4' energy: -70.481 flat angles C4'-P-C4' energy: -54.791 flat angles P-C4'-P energy: -34.535 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: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1199.831615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.831615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.831615 (E_RNA) where: Base-Base interactions energy: -797.804 where: short stacking energy: -386.269 Base-Backbone interact. energy: 1.718 local terms energy: -403.745859 where: bonds (distance) C4'-P energy: -68.616 bonds (distance) P-C4' energy: -70.354 flat angles C4'-P-C4' energy: -82.197 flat angles P-C4'-P energy: -62.092 tors. eta vs tors. theta energy: -120.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1109.250977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.250977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.250977 (E_RNA) where: Base-Base interactions energy: -736.676 where: short stacking energy: -329.948 Base-Backbone interact. energy: -0.627 local terms energy: -371.947306 where: bonds (distance) C4'-P energy: -65.656 bonds (distance) P-C4' energy: -74.217 flat angles C4'-P-C4' energy: -79.525 flat angles P-C4'-P energy: -61.121 tors. eta vs tors. theta energy: -91.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -973.816967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.816967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.816967 (E_RNA) where: Base-Base interactions energy: -663.364 where: short stacking energy: -309.447 Base-Backbone interact. energy: -0.956 local terms energy: -309.497044 where: bonds (distance) C4'-P energy: -58.789 bonds (distance) P-C4' energy: -59.295 flat angles C4'-P-C4' energy: -74.210 flat angles P-C4'-P energy: -45.939 tors. eta vs tors. theta energy: -71.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -990.277867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.277867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.277867 (E_RNA) where: Base-Base interactions energy: -653.192 where: short stacking energy: -314.578 Base-Backbone interact. energy: 1.382 local terms energy: -338.467971 where: bonds (distance) C4'-P energy: -63.232 bonds (distance) P-C4' energy: -54.640 flat angles C4'-P-C4' energy: -72.700 flat angles P-C4'-P energy: -53.348 tors. eta vs tors. theta energy: -94.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -862.349515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.349515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.349515 (E_RNA) where: Base-Base interactions energy: -582.643 where: short stacking energy: -248.444 Base-Backbone interact. energy: -0.812 local terms energy: -278.894754 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -66.023 flat angles C4'-P-C4' energy: -53.147 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -52.636 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: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -759.758008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.758008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.758008 (E_RNA) where: Base-Base interactions energy: -461.020 where: short stacking energy: -223.051 Base-Backbone interact. energy: -0.973 local terms energy: -297.765156 where: bonds (distance) C4'-P energy: -53.736 bonds (distance) P-C4' energy: -73.053 flat angles C4'-P-C4' energy: -56.759 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: -60.131 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: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -701.980969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.980969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.980969 (E_RNA) where: Base-Base interactions energy: -437.336 where: short stacking energy: -235.005 Base-Backbone interact. energy: -0.263 local terms energy: -264.381257 where: bonds (distance) C4'-P energy: -57.920 bonds (distance) P-C4' energy: -62.440 flat angles C4'-P-C4' energy: -56.613 flat angles P-C4'-P energy: -30.324 tors. eta vs tors. theta energy: -57.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -644.637491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.637491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.637491 (E_RNA) where: Base-Base interactions energy: -404.455 where: short stacking energy: -185.238 Base-Backbone interact. energy: 0.436 local terms energy: -240.618663 where: bonds (distance) C4'-P energy: -50.486 bonds (distance) P-C4' energy: -64.951 flat angles C4'-P-C4' energy: -56.982 flat angles P-C4'-P energy: -36.194 tors. eta vs tors. theta energy: -32.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -405.898224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.898224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.898224 (E_RNA) where: Base-Base interactions energy: -180.461 where: short stacking energy: -121.323 Base-Backbone interact. energy: -1.333 local terms energy: -224.104163 where: bonds (distance) C4'-P energy: -59.551 bonds (distance) P-C4' energy: -54.018 flat angles C4'-P-C4' energy: -60.063 flat angles P-C4'-P energy: -38.923 tors. eta vs tors. theta energy: -11.549 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: 321 Temperature: 1.350000 Total energy: -294.252439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.252439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.252439 (E_RNA) where: Base-Base interactions energy: -117.322 where: short stacking energy: -77.442 Base-Backbone interact. energy: -2.400 local terms energy: -174.530369 where: bonds (distance) C4'-P energy: -58.755 bonds (distance) P-C4' energy: -43.702 flat angles C4'-P-C4' energy: -47.361 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: 11.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1204.861132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.861132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.861132 (E_RNA) where: Base-Base interactions energy: -818.133 where: short stacking energy: -373.238 Base-Backbone interact. energy: 1.147 local terms energy: -387.875435 where: bonds (distance) C4'-P energy: -61.814 bonds (distance) P-C4' energy: -77.103 flat angles C4'-P-C4' energy: -77.057 flat angles P-C4'-P energy: -51.570 tors. eta vs tors. theta energy: -120.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1091.665812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.665812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.665812 (E_RNA) where: Base-Base interactions energy: -718.051 where: short stacking energy: -332.054 Base-Backbone interact. energy: -0.669 local terms energy: -372.945791 where: bonds (distance) C4'-P energy: -76.485 bonds (distance) P-C4' energy: -74.816 flat angles C4'-P-C4' energy: -76.363 flat angles P-C4'-P energy: -58.732 tors. eta vs tors. theta energy: -86.550 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: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1023.724499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.724499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.724499 (E_RNA) where: Base-Base interactions energy: -682.008 where: short stacking energy: -326.224 Base-Backbone interact. energy: -0.267 local terms energy: -341.449463 where: bonds (distance) C4'-P energy: -58.546 bonds (distance) P-C4' energy: -65.034 flat angles C4'-P-C4' energy: -77.625 flat angles P-C4'-P energy: -41.614 tors. eta vs tors. theta energy: -98.630 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: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -955.796274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.796274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.796274 (E_RNA) where: Base-Base interactions energy: -664.748 where: short stacking energy: -295.108 Base-Backbone interact. energy: 0.381 local terms energy: -291.430074 where: bonds (distance) C4'-P energy: -57.135 bonds (distance) P-C4' energy: -55.067 flat angles C4'-P-C4' energy: -66.786 flat angles P-C4'-P energy: -42.474 tors. eta vs tors. theta energy: -69.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -854.985892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.985892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.985892 (E_RNA) where: Base-Base interactions energy: -565.217 where: short stacking energy: -262.088 Base-Backbone interact. energy: -0.763 local terms energy: -289.005761 where: bonds (distance) C4'-P energy: -57.698 bonds (distance) P-C4' energy: -58.686 flat angles C4'-P-C4' energy: -67.670 flat angles P-C4'-P energy: -38.973 tors. eta vs tors. theta energy: -65.978 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: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -764.630007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.630007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.630007 (E_RNA) where: Base-Base interactions energy: -465.127 where: short stacking energy: -224.004 Base-Backbone interact. energy: -1.190 local terms energy: -298.313260 where: bonds (distance) C4'-P energy: -60.765 bonds (distance) P-C4' energy: -63.562 flat angles C4'-P-C4' energy: -72.040 flat angles P-C4'-P energy: -46.975 tors. eta vs tors. theta energy: -54.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -703.770871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.770871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.770871 (E_RNA) where: Base-Base interactions energy: -414.959 where: short stacking energy: -216.480 Base-Backbone interact. energy: -0.156 local terms energy: -288.656329 where: bonds (distance) C4'-P energy: -61.503 bonds (distance) P-C4' energy: -72.070 flat angles C4'-P-C4' energy: -61.131 flat angles P-C4'-P energy: -44.331 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: 8, replica: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -622.966518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.966518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.966518 (E_RNA) where: Base-Base interactions energy: -377.554 where: short stacking energy: -166.884 Base-Backbone interact. energy: -0.977 local terms energy: -244.435915 where: bonds (distance) C4'-P energy: -65.493 bonds (distance) P-C4' energy: -58.281 flat angles C4'-P-C4' energy: -57.149 flat angles P-C4'-P energy: -19.029 tors. eta vs tors. theta energy: -44.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -381.533220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.533220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.533220 (E_RNA) where: Base-Base interactions energy: -183.589 where: short stacking energy: -138.911 Base-Backbone interact. energy: -1.292 local terms energy: -196.651941 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -44.152 flat angles C4'-P-C4' energy: -53.740 flat angles P-C4'-P energy: -28.721 tors. eta vs tors. theta energy: -12.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -350.856289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.856289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.856289 (E_RNA) where: Base-Base interactions energy: -174.103 where: short stacking energy: -102.814 Base-Backbone interact. energy: -1.651 local terms energy: -175.102722 where: bonds (distance) C4'-P energy: -64.016 bonds (distance) P-C4' energy: -56.887 flat angles C4'-P-C4' energy: -44.566 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1183.363396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.363396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.363396 (E_RNA) where: Base-Base interactions energy: -793.893 where: short stacking energy: -380.472 Base-Backbone interact. energy: -1.102 local terms energy: -388.368642 where: bonds (distance) C4'-P energy: -57.315 bonds (distance) P-C4' energy: -70.621 flat angles C4'-P-C4' energy: -83.683 flat angles P-C4'-P energy: -54.608 tors. eta vs tors. theta energy: -122.142 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: 2, replica: 4 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1090.241462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.241462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.241462 (E_RNA) where: Base-Base interactions energy: -735.622 where: short stacking energy: -325.766 Base-Backbone interact. energy: -0.667 local terms energy: -353.952671 where: bonds (distance) C4'-P energy: -66.763 bonds (distance) P-C4' energy: -61.453 flat angles C4'-P-C4' energy: -71.185 flat angles P-C4'-P energy: -64.320 tors. eta vs tors. theta energy: -90.232 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: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1002.981931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.981931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.981931 (E_RNA) where: Base-Base interactions energy: -663.284 where: short stacking energy: -315.947 Base-Backbone interact. energy: 1.623 local terms energy: -341.321330 where: bonds (distance) C4'-P energy: -64.446 bonds (distance) P-C4' energy: -59.531 flat angles C4'-P-C4' energy: -76.457 flat angles P-C4'-P energy: -48.591 tors. eta vs tors. theta energy: -92.296 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: 4, replica: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -915.695192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.695192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.695192 (E_RNA) where: Base-Base interactions energy: -604.697 where: short stacking energy: -277.042 Base-Backbone interact. energy: -2.460 local terms energy: -308.538355 where: bonds (distance) C4'-P energy: -52.327 bonds (distance) P-C4' energy: -70.296 flat angles C4'-P-C4' energy: -66.596 flat angles P-C4'-P energy: -47.749 tors. eta vs tors. theta energy: -71.571 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: 1 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -903.790117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.790117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.790117 (E_RNA) where: Base-Base interactions energy: -599.427 where: short stacking energy: -272.104 Base-Backbone interact. energy: -1.271 local terms energy: -303.091442 where: bonds (distance) C4'-P energy: -54.652 bonds (distance) P-C4' energy: -68.824 flat angles C4'-P-C4' energy: -79.521 flat angles P-C4'-P energy: -35.342 tors. eta vs tors. theta energy: -64.752 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: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -785.351579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.351579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.351579 (E_RNA) where: Base-Base interactions energy: -504.595 where: short stacking energy: -231.554 Base-Backbone interact. energy: -1.122 local terms energy: -279.634605 where: bonds (distance) C4'-P energy: -53.420 bonds (distance) P-C4' energy: -64.738 flat angles C4'-P-C4' energy: -68.210 flat angles P-C4'-P energy: -31.574 tors. eta vs tors. theta energy: -61.693 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: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -757.139807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.139807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.139807 (E_RNA) where: Base-Base interactions energy: -470.979 where: short stacking energy: -241.747 Base-Backbone interact. energy: -1.022 local terms energy: -285.138503 where: bonds (distance) C4'-P energy: -70.488 bonds (distance) P-C4' energy: -54.161 flat angles C4'-P-C4' energy: -73.915 flat angles P-C4'-P energy: -32.781 tors. eta vs tors. theta energy: -53.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -598.141781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.141781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.141781 (E_RNA) where: Base-Base interactions energy: -363.464 where: short stacking energy: -183.868 Base-Backbone interact. energy: 2.647 local terms energy: -237.324785 where: bonds (distance) C4'-P energy: -70.002 bonds (distance) P-C4' energy: -65.344 flat angles C4'-P-C4' energy: -41.706 flat angles P-C4'-P energy: -23.625 tors. eta vs tors. theta energy: -36.647 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: 2 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -392.137858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.137858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.137858 (E_RNA) where: Base-Base interactions energy: -205.517 where: short stacking energy: -103.155 Base-Backbone interact. energy: -1.254 local terms energy: -185.367331 where: bonds (distance) C4'-P energy: -56.354 bonds (distance) P-C4' energy: -61.703 flat angles C4'-P-C4' energy: -51.113 flat angles P-C4'-P energy: -29.870 tors. eta vs tors. theta energy: 13.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -373.313189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.313189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.313189 (E_RNA) where: Base-Base interactions energy: -186.104 where: short stacking energy: -119.658 Base-Backbone interact. energy: -2.017 local terms energy: -185.192617 where: bonds (distance) C4'-P energy: -59.213 bonds (distance) P-C4' energy: -64.178 flat angles C4'-P-C4' energy: -37.117 flat angles P-C4'-P energy: -22.968 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1172.205758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.205758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.205758 (E_RNA) where: Base-Base interactions energy: -794.197 where: short stacking energy: -364.132 Base-Backbone interact. energy: 2.032 local terms energy: -380.040918 where: bonds (distance) C4'-P energy: -67.435 bonds (distance) P-C4' energy: -75.626 flat angles C4'-P-C4' energy: -80.022 flat angles P-C4'-P energy: -47.124 tors. eta vs tors. theta energy: -109.833 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: 4 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1088.482431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.482431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.482431 (E_RNA) where: Base-Base interactions energy: -719.126 where: short stacking energy: -327.209 Base-Backbone interact. energy: -0.419 local terms energy: -368.938201 where: bonds (distance) C4'-P energy: -72.214 bonds (distance) P-C4' energy: -73.078 flat angles C4'-P-C4' energy: -71.345 flat angles P-C4'-P energy: -57.297 tors. eta vs tors. theta energy: -95.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1004.724277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.724277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.724277 (E_RNA) where: Base-Base interactions energy: -670.244 where: short stacking energy: -319.759 Base-Backbone interact. energy: -0.615 local terms energy: -333.865618 where: bonds (distance) C4'-P energy: -64.116 bonds (distance) P-C4' energy: -63.535 flat angles C4'-P-C4' energy: -71.321 flat angles P-C4'-P energy: -48.988 tors. eta vs tors. theta energy: -85.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -883.647363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.647363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.647363 (E_RNA) where: Base-Base interactions energy: -565.465 where: short stacking energy: -259.251 Base-Backbone interact. energy: -1.245 local terms energy: -316.937991 where: bonds (distance) C4'-P energy: -60.424 bonds (distance) P-C4' energy: -68.964 flat angles C4'-P-C4' energy: -72.489 flat angles P-C4'-P energy: -48.076 tors. eta vs tors. theta energy: -66.985 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: 5, replica: 1 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -950.395888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.395888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.395888 (E_RNA) where: Base-Base interactions energy: -649.317 where: short stacking energy: -287.862 Base-Backbone interact. energy: 0.288 local terms energy: -301.366662 where: bonds (distance) C4'-P energy: -55.201 bonds (distance) P-C4' energy: -56.987 flat angles C4'-P-C4' energy: -70.208 flat angles P-C4'-P energy: -44.025 tors. eta vs tors. theta energy: -74.946 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: 6, replica: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -794.011735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.011735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.011735 (E_RNA) where: Base-Base interactions energy: -507.836 where: short stacking energy: -244.709 Base-Backbone interact. energy: -1.607 local terms energy: -284.568300 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -60.276 flat angles C4'-P-C4' energy: -67.388 flat angles P-C4'-P energy: -39.516 tors. eta vs tors. theta energy: -61.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -741.714183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.714183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.714183 (E_RNA) where: Base-Base interactions energy: -464.001 where: short stacking energy: -210.634 Base-Backbone interact. energy: -0.578 local terms energy: -277.134508 where: bonds (distance) C4'-P energy: -54.417 bonds (distance) P-C4' energy: -63.114 flat angles C4'-P-C4' energy: -69.573 flat angles P-C4'-P energy: -40.140 tors. eta vs tors. theta energy: -49.890 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: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -602.533852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.533852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.533852 (E_RNA) where: Base-Base interactions energy: -363.424 where: short stacking energy: -168.935 Base-Backbone interact. energy: 1.855 local terms energy: -240.965128 where: bonds (distance) C4'-P energy: -57.625 bonds (distance) P-C4' energy: -62.131 flat angles C4'-P-C4' energy: -58.050 flat angles P-C4'-P energy: -31.669 tors. eta vs tors. theta energy: -31.490 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: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -396.280735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.280735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.280735 (E_RNA) where: Base-Base interactions energy: -188.985 where: short stacking energy: -96.412 Base-Backbone interact. energy: -1.717 local terms energy: -205.578675 where: bonds (distance) C4'-P energy: -58.561 bonds (distance) P-C4' energy: -67.598 flat angles C4'-P-C4' energy: -46.613 flat angles P-C4'-P energy: -28.882 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -311.646739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.646739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.646739 (E_RNA) where: Base-Base interactions energy: -119.695 where: short stacking energy: -84.878 Base-Backbone interact. energy: -0.055 local terms energy: -191.896762 where: bonds (distance) C4'-P energy: -53.067 bonds (distance) P-C4' energy: -51.683 flat angles C4'-P-C4' energy: -63.232 flat angles P-C4'-P energy: -29.637 tors. eta vs tors. theta energy: 5.722 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: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1182.078459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.078459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.078459 (E_RNA) where: Base-Base interactions energy: -787.432 where: short stacking energy: -364.929 Base-Backbone interact. energy: -2.175 local terms energy: -392.471288 where: bonds (distance) C4'-P energy: -70.388 bonds (distance) P-C4' energy: -68.756 flat angles C4'-P-C4' energy: -83.870 flat angles P-C4'-P energy: -52.192 tors. eta vs tors. theta energy: -117.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1099.069252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.069252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.069252 (E_RNA) where: Base-Base interactions energy: -730.656 where: short stacking energy: -323.302 Base-Backbone interact. energy: -1.022 local terms energy: -367.390980 where: bonds (distance) C4'-P energy: -71.184 bonds (distance) P-C4' energy: -71.170 flat angles C4'-P-C4' energy: -80.065 flat angles P-C4'-P energy: -53.228 tors. eta vs tors. theta energy: -91.744 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: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1003.301988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.301988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.301988 (E_RNA) where: Base-Base interactions energy: -633.885 where: short stacking energy: -294.283 Base-Backbone interact. energy: -0.421 local terms energy: -368.995787 where: bonds (distance) C4'-P energy: -71.635 bonds (distance) P-C4' energy: -71.559 flat angles C4'-P-C4' energy: -77.600 flat angles P-C4'-P energy: -57.962 tors. eta vs tors. theta energy: -90.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -997.303393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.303393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.303393 (E_RNA) where: Base-Base interactions energy: -655.552 where: short stacking energy: -309.500 Base-Backbone interact. energy: -1.380 local terms energy: -340.371579 where: bonds (distance) C4'-P energy: -67.934 bonds (distance) P-C4' energy: -62.441 flat angles C4'-P-C4' energy: -78.703 flat angles P-C4'-P energy: -47.593 tors. eta vs tors. theta energy: -83.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -859.900390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.900390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.900390 (E_RNA) where: Base-Base interactions energy: -572.322 where: short stacking energy: -280.967 Base-Backbone interact. energy: -0.858 local terms energy: -286.719752 where: bonds (distance) C4'-P energy: -60.595 bonds (distance) P-C4' energy: -60.534 flat angles C4'-P-C4' energy: -61.444 flat angles P-C4'-P energy: -38.622 tors. eta vs tors. theta energy: -65.525 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: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -808.325636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.325636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.325636 (E_RNA) where: Base-Base interactions energy: -517.792 where: short stacking energy: -247.445 Base-Backbone interact. energy: -0.993 local terms energy: -289.540868 where: bonds (distance) C4'-P energy: -52.309 bonds (distance) P-C4' energy: -59.593 flat angles C4'-P-C4' energy: -66.019 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -62.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -738.924195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.924195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.924195 (E_RNA) where: Base-Base interactions energy: -464.765 where: short stacking energy: -204.736 Base-Backbone interact. energy: -0.661 local terms energy: -273.498176 where: bonds (distance) C4'-P energy: -53.509 bonds (distance) P-C4' energy: -59.471 flat angles C4'-P-C4' energy: -65.519 flat angles P-C4'-P energy: -38.636 tors. eta vs tors. theta energy: -56.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -639.519805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.519805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.519805 (E_RNA) where: Base-Base interactions energy: -371.511 where: short stacking energy: -181.207 Base-Backbone interact. energy: 5.365 local terms energy: -273.373926 where: bonds (distance) C4'-P energy: -60.550 bonds (distance) P-C4' energy: -52.626 flat angles C4'-P-C4' energy: -69.708 flat angles P-C4'-P energy: -40.963 tors. eta vs tors. theta energy: -49.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -373.667925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.667925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.667925 (E_RNA) where: Base-Base interactions energy: -176.336 where: short stacking energy: -91.286 Base-Backbone interact. energy: -1.332 local terms energy: -196.000065 where: bonds (distance) C4'-P energy: -66.710 bonds (distance) P-C4' energy: -61.388 flat angles C4'-P-C4' energy: -51.298 flat angles P-C4'-P energy: -29.003 tors. eta vs tors. theta energy: 12.399 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: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -298.741530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.741530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.741530 (E_RNA) where: Base-Base interactions energy: -111.615 where: short stacking energy: -95.292 Base-Backbone interact. energy: 0.412 local terms energy: -187.538715 where: bonds (distance) C4'-P energy: -53.552 bonds (distance) P-C4' energy: -56.490 flat angles C4'-P-C4' energy: -36.156 flat angles P-C4'-P energy: -36.048 tors. eta vs tors. theta energy: -5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1171.443118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.443118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.443118 (E_RNA) where: Base-Base interactions energy: -781.973 where: short stacking energy: -371.696 Base-Backbone interact. energy: -0.951 local terms energy: -388.519574 where: bonds (distance) C4'-P energy: -71.527 bonds (distance) P-C4' energy: -68.496 flat angles C4'-P-C4' energy: -80.086 flat angles P-C4'-P energy: -56.098 tors. eta vs tors. theta energy: -112.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1093.238674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.238674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.238674 (E_RNA) where: Base-Base interactions energy: -754.820 where: short stacking energy: -350.653 Base-Backbone interact. energy: -2.553 local terms energy: -335.865549 where: bonds (distance) C4'-P energy: -62.661 bonds (distance) P-C4' energy: -64.090 flat angles C4'-P-C4' energy: -69.066 flat angles P-C4'-P energy: -47.442 tors. eta vs tors. theta energy: -92.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1019.276383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.276383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.276383 (E_RNA) where: Base-Base interactions energy: -668.721 where: short stacking energy: -328.664 Base-Backbone interact. energy: -0.306 local terms energy: -350.249619 where: bonds (distance) C4'-P energy: -67.178 bonds (distance) P-C4' energy: -68.606 flat angles C4'-P-C4' energy: -62.840 flat angles P-C4'-P energy: -47.320 tors. eta vs tors. theta energy: -104.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -982.435953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.435953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.435953 (E_RNA) where: Base-Base interactions energy: -654.333 where: short stacking energy: -292.486 Base-Backbone interact. energy: -0.382 local terms energy: -327.719987 where: bonds (distance) C4'-P energy: -60.071 bonds (distance) P-C4' energy: -57.477 flat angles C4'-P-C4' energy: -86.153 flat angles P-C4'-P energy: -43.482 tors. eta vs tors. theta energy: -80.537 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: 326 Temperature: 1.100000 Total energy: -846.417828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.417828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.417828 (E_RNA) where: Base-Base interactions energy: -535.455 where: short stacking energy: -256.127 Base-Backbone interact. energy: -2.513 local terms energy: -308.449117 where: bonds (distance) C4'-P energy: -72.621 bonds (distance) P-C4' energy: -59.870 flat angles C4'-P-C4' energy: -74.767 flat angles P-C4'-P energy: -43.070 tors. eta vs tors. theta energy: -58.121 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -846.487730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.487730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.487730 (E_RNA) where: Base-Base interactions energy: -539.804 where: short stacking energy: -260.345 Base-Backbone interact. energy: -1.287 local terms energy: -305.397261 where: bonds (distance) C4'-P energy: -53.635 bonds (distance) P-C4' energy: -63.009 flat angles C4'-P-C4' energy: -60.978 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: -77.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -797.668916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.668916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.668916 (E_RNA) where: Base-Base interactions energy: -499.139 where: short stacking energy: -239.165 Base-Backbone interact. energy: -1.429 local terms energy: -297.100646 where: bonds (distance) C4'-P energy: -62.682 bonds (distance) P-C4' energy: -63.231 flat angles C4'-P-C4' energy: -67.922 flat angles P-C4'-P energy: -41.873 tors. eta vs tors. theta energy: -61.393 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: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -631.056333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.056333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.056333 (E_RNA) where: Base-Base interactions energy: -386.940 where: short stacking energy: -164.194 Base-Backbone interact. energy: 1.650 local terms energy: -245.766334 where: bonds (distance) C4'-P energy: -59.848 bonds (distance) P-C4' energy: -64.991 flat angles C4'-P-C4' energy: -59.765 flat angles P-C4'-P energy: -34.387 tors. eta vs tors. theta energy: -26.775 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: 2 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -442.056611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.056611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.056611 (E_RNA) where: Base-Base interactions energy: -227.373 where: short stacking energy: -139.604 Base-Backbone interact. energy: 5.104 local terms energy: -219.787682 where: bonds (distance) C4'-P energy: -60.848 bonds (distance) P-C4' energy: -64.260 flat angles C4'-P-C4' energy: -50.060 flat angles P-C4'-P energy: -32.353 tors. eta vs tors. theta energy: -12.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -288.900700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.900700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.900700 (E_RNA) where: Base-Base interactions energy: -133.868 where: short stacking energy: -82.566 Base-Backbone interact. energy: -0.392 local terms energy: -154.640730 where: bonds (distance) C4'-P energy: -51.714 bonds (distance) P-C4' energy: -55.227 flat angles C4'-P-C4' energy: -34.638 flat angles P-C4'-P energy: -28.695 tors. eta vs tors. theta energy: 15.633 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: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1179.227134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.227134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.227134 (E_RNA) where: Base-Base interactions energy: -791.602 where: short stacking energy: -382.935 Base-Backbone interact. energy: -0.913 local terms energy: -386.711690 where: bonds (distance) C4'-P energy: -63.963 bonds (distance) P-C4' energy: -73.628 flat angles C4'-P-C4' energy: -84.329 flat angles P-C4'-P energy: -51.829 tors. eta vs tors. theta energy: -112.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1098.583824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.583824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.583824 (E_RNA) where: Base-Base interactions energy: -735.226 where: short stacking energy: -351.603 Base-Backbone interact. energy: -1.746 local terms energy: -361.611927 where: bonds (distance) C4'-P energy: -62.615 bonds (distance) P-C4' energy: -64.421 flat angles C4'-P-C4' energy: -85.605 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -93.940 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: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1004.253249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.253249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.253249 (E_RNA) where: Base-Base interactions energy: -647.550 where: short stacking energy: -325.620 Base-Backbone interact. energy: -0.133 local terms energy: -356.570749 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -67.020 flat angles C4'-P-C4' energy: -79.867 flat angles P-C4'-P energy: -50.472 tors. eta vs tors. theta energy: -98.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -975.422303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.422303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.422303 (E_RNA) where: Base-Base interactions energy: -646.815 where: short stacking energy: -302.313 Base-Backbone interact. energy: -0.872 local terms energy: -327.735355 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -60.598 flat angles C4'-P-C4' energy: -78.899 flat angles P-C4'-P energy: -43.956 tors. eta vs tors. theta energy: -83.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -835.973130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.973130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.973130 (E_RNA) where: Base-Base interactions energy: -530.386 where: short stacking energy: -269.929 Base-Backbone interact. energy: 0.177 local terms energy: -305.764630 where: bonds (distance) C4'-P energy: -60.091 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -76.368 flat angles P-C4'-P energy: -38.841 tors. eta vs tors. theta energy: -66.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -879.187109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.187109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.187109 (E_RNA) where: Base-Base interactions energy: -575.941 where: short stacking energy: -268.571 Base-Backbone interact. energy: 2.502 local terms energy: -305.748509 where: bonds (distance) C4'-P energy: -54.737 bonds (distance) P-C4' energy: -64.175 flat angles C4'-P-C4' energy: -72.387 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -71.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -733.613020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.613020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.613020 (E_RNA) where: Base-Base interactions energy: -444.510 where: short stacking energy: -224.344 Base-Backbone interact. energy: -0.562 local terms energy: -288.540950 where: bonds (distance) C4'-P energy: -71.443 bonds (distance) P-C4' energy: -56.698 flat angles C4'-P-C4' energy: -64.664 flat angles P-C4'-P energy: -39.344 tors. eta vs tors. theta energy: -56.392 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: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -621.609429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.609429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.609429 (E_RNA) where: Base-Base interactions energy: -399.901 where: short stacking energy: -179.222 Base-Backbone interact. energy: 1.231 local terms energy: -222.939573 where: bonds (distance) C4'-P energy: -63.669 bonds (distance) P-C4' energy: -52.094 flat angles C4'-P-C4' energy: -58.658 flat angles P-C4'-P energy: -16.425 tors. eta vs tors. theta energy: -32.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -417.567409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.567409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.567409 (E_RNA) where: Base-Base interactions energy: -207.595 where: short stacking energy: -124.205 Base-Backbone interact. energy: 0.386 local terms energy: -210.357805 where: bonds (distance) C4'-P energy: -62.238 bonds (distance) P-C4' energy: -60.747 flat angles C4'-P-C4' energy: -50.349 flat angles P-C4'-P energy: -34.280 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -343.454644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.454644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.454644 (E_RNA) where: Base-Base interactions energy: -167.806 where: short stacking energy: -115.678 Base-Backbone interact. energy: -0.759 local terms energy: -174.889199 where: bonds (distance) C4'-P energy: -51.336 bonds (distance) P-C4' energy: -57.261 flat angles C4'-P-C4' energy: -45.560 flat angles P-C4'-P energy: -24.967 tors. eta vs tors. theta energy: 4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1192.270692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.270692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.270692 (E_RNA) where: Base-Base interactions energy: -796.068 where: short stacking energy: -385.372 Base-Backbone interact. energy: -0.105 local terms energy: -396.097246 where: bonds (distance) C4'-P energy: -59.998 bonds (distance) P-C4' energy: -71.716 flat angles C4'-P-C4' energy: -87.943 flat angles P-C4'-P energy: -58.379 tors. eta vs tors. theta energy: -118.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1114.704518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.704518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.704518 (E_RNA) where: Base-Base interactions energy: -743.023 where: short stacking energy: -331.312 Base-Backbone interact. energy: -0.609 local terms energy: -371.072594 where: bonds (distance) C4'-P energy: -69.082 bonds (distance) P-C4' energy: -74.553 flat angles C4'-P-C4' energy: -73.742 flat angles P-C4'-P energy: -59.168 tors. eta vs tors. theta energy: -94.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1023.560603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.560603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.560603 (E_RNA) where: Base-Base interactions energy: -688.938 where: short stacking energy: -320.259 Base-Backbone interact. energy: -0.429 local terms energy: -334.192814 where: bonds (distance) C4'-P energy: -65.786 bonds (distance) P-C4' energy: -58.186 flat angles C4'-P-C4' energy: -73.794 flat angles P-C4'-P energy: -52.797 tors. eta vs tors. theta energy: -83.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -999.024634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.024634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.024634 (E_RNA) where: Base-Base interactions energy: -655.029 where: short stacking energy: -321.070 Base-Backbone interact. energy: -0.527 local terms energy: -343.468521 where: bonds (distance) C4'-P energy: -64.901 bonds (distance) P-C4' energy: -60.253 flat angles C4'-P-C4' energy: -70.015 flat angles P-C4'-P energy: -56.224 tors. eta vs tors. theta energy: -92.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -898.356925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.356925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.356925 (E_RNA) where: Base-Base interactions energy: -588.572 where: short stacking energy: -279.163 Base-Backbone interact. energy: 0.067 local terms energy: -309.852046 where: bonds (distance) C4'-P energy: -65.469 bonds (distance) P-C4' energy: -65.075 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -41.925 tors. eta vs tors. theta energy: -74.176 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: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -836.020346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.020346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.020346 (E_RNA) where: Base-Base interactions energy: -515.100 where: short stacking energy: -242.159 Base-Backbone interact. energy: -1.765 local terms energy: -319.155567 where: bonds (distance) C4'-P energy: -67.722 bonds (distance) P-C4' energy: -74.216 flat angles C4'-P-C4' energy: -66.761 flat angles P-C4'-P energy: -47.381 tors. eta vs tors. theta energy: -63.077 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: 7, replica: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -731.724296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.724296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.724296 (E_RNA) where: Base-Base interactions energy: -467.931 where: short stacking energy: -227.190 Base-Backbone interact. energy: 0.043 local terms energy: -263.837013 where: bonds (distance) C4'-P energy: -54.360 bonds (distance) P-C4' energy: -64.436 flat angles C4'-P-C4' energy: -53.398 flat angles P-C4'-P energy: -28.312 tors. eta vs tors. theta energy: -63.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -667.055745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.055745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.055745 (E_RNA) where: Base-Base interactions energy: -419.729 where: short stacking energy: -198.482 Base-Backbone interact. energy: 0.732 local terms energy: -248.058186 where: bonds (distance) C4'-P energy: -63.554 bonds (distance) P-C4' energy: -55.705 flat angles C4'-P-C4' energy: -52.115 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -34.497 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: 9, replica: 2 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -410.358056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.358056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.358056 (E_RNA) where: Base-Base interactions energy: -202.184 where: short stacking energy: -112.709 Base-Backbone interact. energy: -0.040 local terms energy: -208.133724 where: bonds (distance) C4'-P energy: -55.611 bonds (distance) P-C4' energy: -52.333 flat angles C4'-P-C4' energy: -51.987 flat angles P-C4'-P energy: -36.474 tors. eta vs tors. theta energy: -11.728 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: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -341.146358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.146358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.146358 (E_RNA) where: Base-Base interactions energy: -159.931 where: short stacking energy: -98.762 Base-Backbone interact. energy: -0.940 local terms energy: -180.275444 where: bonds (distance) C4'-P energy: -52.066 bonds (distance) P-C4' energy: -51.167 flat angles C4'-P-C4' energy: -47.696 flat angles P-C4'-P energy: -35.211 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: 10 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1184.188493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.188493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.188493 (E_RNA) where: Base-Base interactions energy: -787.218 where: short stacking energy: -369.269 Base-Backbone interact. energy: -0.479 local terms energy: -396.490867 where: bonds (distance) C4'-P energy: -68.214 bonds (distance) P-C4' energy: -78.481 flat angles C4'-P-C4' energy: -81.450 flat angles P-C4'-P energy: -52.259 tors. eta vs tors. theta energy: -116.086 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: 329 Temperature: 0.950000 Total energy: -1111.180810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.180810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.180810 (E_RNA) where: Base-Base interactions energy: -737.063 where: short stacking energy: -351.415 Base-Backbone interact. energy: -1.954 local terms energy: -372.164092 where: bonds (distance) C4'-P energy: -65.586 bonds (distance) P-C4' energy: -70.986 flat angles C4'-P-C4' energy: -79.079 flat angles P-C4'-P energy: -63.746 tors. eta vs tors. theta energy: -92.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1079.741628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.741628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.741628 (E_RNA) where: Base-Base interactions energy: -720.372 where: short stacking energy: -333.018 Base-Backbone interact. energy: 0.077 local terms energy: -359.446532 where: bonds (distance) C4'-P energy: -57.391 bonds (distance) P-C4' energy: -75.637 flat angles C4'-P-C4' energy: -77.735 flat angles P-C4'-P energy: -54.318 tors. eta vs tors. theta energy: -94.366 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: 4, replica: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -985.265322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.265322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.265322 (E_RNA) where: Base-Base interactions energy: -656.290 where: short stacking energy: -318.997 Base-Backbone interact. energy: -0.731 local terms energy: -328.243838 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -59.964 flat angles C4'-P-C4' energy: -73.985 flat angles P-C4'-P energy: -48.739 tors. eta vs tors. theta energy: -87.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -858.449080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.449080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.449080 (E_RNA) where: Base-Base interactions energy: -544.509 where: short stacking energy: -245.099 Base-Backbone interact. energy: -1.822 local terms energy: -312.118200 where: bonds (distance) C4'-P energy: -66.075 bonds (distance) P-C4' energy: -76.651 flat angles C4'-P-C4' energy: -70.687 flat angles P-C4'-P energy: -41.857 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: 6, replica: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -804.171977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.171977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.171977 (E_RNA) where: Base-Base interactions energy: -499.288 where: short stacking energy: -252.242 Base-Backbone interact. energy: -0.617 local terms energy: -304.266941 where: bonds (distance) C4'-P energy: -68.851 bonds (distance) P-C4' energy: -66.915 flat angles C4'-P-C4' energy: -61.425 flat angles P-C4'-P energy: -45.814 tors. eta vs tors. theta energy: -61.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -784.022014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.022014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.022014 (E_RNA) where: Base-Base interactions energy: -497.908 where: short stacking energy: -243.956 Base-Backbone interact. energy: -0.916 local terms energy: -285.198548 where: bonds (distance) C4'-P energy: -54.938 bonds (distance) P-C4' energy: -64.225 flat angles C4'-P-C4' energy: -59.865 flat angles P-C4'-P energy: -44.722 tors. eta vs tors. theta energy: -61.448 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: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -661.029080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.029080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.029080 (E_RNA) where: Base-Base interactions energy: -421.170 where: short stacking energy: -190.786 Base-Backbone interact. energy: 0.013 local terms energy: -239.872181 where: bonds (distance) C4'-P energy: -57.938 bonds (distance) P-C4' energy: -59.209 flat angles C4'-P-C4' energy: -56.546 flat angles P-C4'-P energy: -29.490 tors. eta vs tors. theta energy: -36.690 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: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -427.731812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.731812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.731812 (E_RNA) where: Base-Base interactions energy: -225.890 where: short stacking energy: -122.214 Base-Backbone interact. energy: -0.485 local terms energy: -201.356997 where: bonds (distance) C4'-P energy: -40.982 bonds (distance) P-C4' energy: -63.372 flat angles C4'-P-C4' energy: -56.462 flat angles P-C4'-P energy: -31.022 tors. eta vs tors. theta energy: -9.519 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: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -346.449944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.449944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.449944 (E_RNA) where: Base-Base interactions energy: -158.149 where: short stacking energy: -93.923 Base-Backbone interact. energy: -1.146 local terms energy: -187.155273 where: bonds (distance) C4'-P energy: -56.692 bonds (distance) P-C4' energy: -49.573 flat angles C4'-P-C4' energy: -42.658 flat angles P-C4'-P energy: -33.225 tors. eta vs tors. theta energy: -5.007 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: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1187.725662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.725662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.725662 (E_RNA) where: Base-Base interactions energy: -801.900 where: short stacking energy: -368.701 Base-Backbone interact. energy: -1.338 local terms energy: -384.487495 where: bonds (distance) C4'-P energy: -67.969 bonds (distance) P-C4' energy: -66.439 flat angles C4'-P-C4' energy: -78.173 flat angles P-C4'-P energy: -54.737 tors. eta vs tors. theta energy: -117.170 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: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1129.828136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.828136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.828136 (E_RNA) where: Base-Base interactions energy: -746.752 where: short stacking energy: -351.880 Base-Backbone interact. energy: -1.352 local terms energy: -381.723817 where: bonds (distance) C4'-P energy: -75.173 bonds (distance) P-C4' energy: -67.855 flat angles C4'-P-C4' energy: -76.268 flat angles P-C4'-P energy: -63.171 tors. eta vs tors. theta energy: -99.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1049.909955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.909955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.909955 (E_RNA) where: Base-Base interactions energy: -714.824 where: short stacking energy: -322.798 Base-Backbone interact. energy: -0.546 local terms energy: -334.539897 where: bonds (distance) C4'-P energy: -63.891 bonds (distance) P-C4' energy: -62.916 flat angles C4'-P-C4' energy: -77.812 flat angles P-C4'-P energy: -43.811 tors. eta vs tors. theta energy: -86.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1020.709983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.709983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.709983 (E_RNA) where: Base-Base interactions energy: -655.489 where: short stacking energy: -343.946 Base-Backbone interact. energy: -0.971 local terms energy: -364.249571 where: bonds (distance) C4'-P energy: -68.688 bonds (distance) P-C4' energy: -69.379 flat angles C4'-P-C4' energy: -71.083 flat angles P-C4'-P energy: -49.410 tors. eta vs tors. theta energy: -105.689 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: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -848.714260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.714260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.714260 (E_RNA) where: Base-Base interactions energy: -549.464 where: short stacking energy: -262.733 Base-Backbone interact. energy: -2.326 local terms energy: -296.924360 where: bonds (distance) C4'-P energy: -57.449 bonds (distance) P-C4' energy: -59.838 flat angles C4'-P-C4' energy: -72.571 flat angles P-C4'-P energy: -45.870 tors. eta vs tors. theta energy: -61.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -812.599154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.599154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.599154 (E_RNA) where: Base-Base interactions energy: -514.320 where: short stacking energy: -222.415 Base-Backbone interact. energy: -1.151 local terms energy: -297.128151 where: bonds (distance) C4'-P energy: -58.862 bonds (distance) P-C4' energy: -57.858 flat angles C4'-P-C4' energy: -75.927 flat angles P-C4'-P energy: -43.954 tors. eta vs tors. theta energy: -60.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -759.292848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.292848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.292848 (E_RNA) where: Base-Base interactions energy: -492.436 where: short stacking energy: -224.812 Base-Backbone interact. energy: -0.800 local terms energy: -266.056208 where: bonds (distance) C4'-P energy: -62.899 bonds (distance) P-C4' energy: -54.295 flat angles C4'-P-C4' energy: -58.134 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -53.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -649.362071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.362071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.362071 (E_RNA) where: Base-Base interactions energy: -407.216 where: short stacking energy: -195.474 Base-Backbone interact. energy: 1.155 local terms energy: -243.301449 where: bonds (distance) C4'-P energy: -55.804 bonds (distance) P-C4' energy: -59.774 flat angles C4'-P-C4' energy: -58.655 flat angles P-C4'-P energy: -39.128 tors. eta vs tors. theta energy: -29.941 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: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -381.942447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.942447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.942447 (E_RNA) where: Base-Base interactions energy: -164.321 where: short stacking energy: -118.435 Base-Backbone interact. energy: -0.627 local terms energy: -216.994599 where: bonds (distance) C4'-P energy: -54.359 bonds (distance) P-C4' energy: -64.493 flat angles C4'-P-C4' energy: -58.078 flat angles P-C4'-P energy: -31.662 tors. eta vs tors. theta energy: -8.403 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: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -401.562194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.562194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.562194 (E_RNA) where: Base-Base interactions energy: -212.330 where: short stacking energy: -121.639 Base-Backbone interact. energy: 4.669 local terms energy: -193.900620 where: bonds (distance) C4'-P energy: -50.760 bonds (distance) P-C4' energy: -63.251 flat angles C4'-P-C4' energy: -43.468 flat angles P-C4'-P energy: -24.281 tors. eta vs tors. theta energy: -12.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1192.794582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.794582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.794582 (E_RNA) where: Base-Base interactions energy: -800.826 where: short stacking energy: -381.464 Base-Backbone interact. energy: -0.636 local terms energy: -391.332500 where: bonds (distance) C4'-P energy: -63.296 bonds (distance) P-C4' energy: -72.287 flat angles C4'-P-C4' energy: -85.105 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -120.984 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: 4 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1081.174642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.174642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.174642 (E_RNA) where: Base-Base interactions energy: -723.309 where: short stacking energy: -329.966 Base-Backbone interact. energy: -0.389 local terms energy: -357.477081 where: bonds (distance) C4'-P energy: -66.561 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -74.144 flat angles P-C4'-P energy: -53.521 tors. eta vs tors. theta energy: -96.331 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: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1049.947562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.947562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.947562 (E_RNA) where: Base-Base interactions energy: -702.390 where: short stacking energy: -325.327 Base-Backbone interact. energy: -0.907 local terms energy: -346.651135 where: bonds (distance) C4'-P energy: -74.712 bonds (distance) P-C4' energy: -53.680 flat angles C4'-P-C4' energy: -76.221 flat angles P-C4'-P energy: -54.126 tors. eta vs tors. theta energy: -87.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1026.233986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.233986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.233986 (E_RNA) where: Base-Base interactions energy: -658.824 where: short stacking energy: -332.937 Base-Backbone interact. energy: -0.198 local terms energy: -367.211817 where: bonds (distance) C4'-P energy: -65.891 bonds (distance) P-C4' energy: -71.496 flat angles C4'-P-C4' energy: -75.019 flat angles P-C4'-P energy: -53.198 tors. eta vs tors. theta energy: -101.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -876.213551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.213551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.213551 (E_RNA) where: Base-Base interactions energy: -598.914 where: short stacking energy: -264.270 Base-Backbone interact. energy: -0.631 local terms energy: -276.668742 where: bonds (distance) C4'-P energy: -60.600 bonds (distance) P-C4' energy: -53.295 flat angles C4'-P-C4' energy: -62.927 flat angles P-C4'-P energy: -31.217 tors. eta vs tors. theta energy: -68.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -808.297865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.297865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.297865 (E_RNA) where: Base-Base interactions energy: -522.107 where: short stacking energy: -249.557 Base-Backbone interact. energy: 0.023 local terms energy: -286.214586 where: bonds (distance) C4'-P energy: -60.612 bonds (distance) P-C4' energy: -65.868 flat angles C4'-P-C4' energy: -71.167 flat angles P-C4'-P energy: -29.902 tors. eta vs tors. theta energy: -58.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -755.107234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.107234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.107234 (E_RNA) where: Base-Base interactions energy: -477.152 where: short stacking energy: -217.898 Base-Backbone interact. energy: 1.158 local terms energy: -279.113472 where: bonds (distance) C4'-P energy: -65.602 bonds (distance) P-C4' energy: -65.684 flat angles C4'-P-C4' energy: -60.317 flat angles P-C4'-P energy: -46.007 tors. eta vs tors. theta energy: -41.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -613.147335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.147335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.147335 (E_RNA) where: Base-Base interactions energy: -385.952 where: short stacking energy: -179.376 Base-Backbone interact. energy: 0.249 local terms energy: -227.444036 where: bonds (distance) C4'-P energy: -62.933 bonds (distance) P-C4' energy: -60.433 flat angles C4'-P-C4' energy: -56.392 flat angles P-C4'-P energy: -28.220 tors. eta vs tors. theta energy: -19.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -362.283845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.283845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.283845 (E_RNA) where: Base-Base interactions energy: -153.376 where: short stacking energy: -116.214 Base-Backbone interact. energy: 4.771 local terms energy: -213.679050 where: bonds (distance) C4'-P energy: -47.261 bonds (distance) P-C4' energy: -69.652 flat angles C4'-P-C4' energy: -52.154 flat angles P-C4'-P energy: -30.906 tors. eta vs tors. theta energy: -13.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -403.829114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.829114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.829114 (E_RNA) where: Base-Base interactions energy: -194.266 where: short stacking energy: -116.177 Base-Backbone interact. energy: -1.013 local terms energy: -208.550380 where: bonds (distance) C4'-P energy: -54.680 bonds (distance) P-C4' energy: -61.798 flat angles C4'-P-C4' energy: -54.332 flat angles P-C4'-P energy: -29.145 tors. eta vs tors. theta energy: -8.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1181.863776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.863776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.863776 (E_RNA) where: Base-Base interactions energy: -800.889 where: short stacking energy: -384.855 Base-Backbone interact. energy: -0.605 local terms energy: -380.370484 where: bonds (distance) C4'-P energy: -64.156 bonds (distance) P-C4' energy: -65.329 flat angles C4'-P-C4' energy: -75.223 flat angles P-C4'-P energy: -59.546 tors. eta vs tors. theta energy: -116.116 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: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1062.525020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.525020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.525020 (E_RNA) where: Base-Base interactions energy: -721.114 where: short stacking energy: -312.980 Base-Backbone interact. energy: -0.019 local terms energy: -341.392200 where: bonds (distance) C4'-P energy: -66.915 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -75.187 flat angles P-C4'-P energy: -51.191 tors. eta vs tors. theta energy: -83.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1047.030762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.030762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.030762 (E_RNA) where: Base-Base interactions energy: -712.763 where: short stacking energy: -345.746 Base-Backbone interact. energy: 0.389 local terms energy: -334.656812 where: bonds (distance) C4'-P energy: -66.868 bonds (distance) P-C4' energy: -59.415 flat angles C4'-P-C4' energy: -70.050 flat angles P-C4'-P energy: -44.394 tors. eta vs tors. theta energy: -93.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1004.505351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.505351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.505351 (E_RNA) where: Base-Base interactions energy: -659.704 where: short stacking energy: -313.307 Base-Backbone interact. energy: -0.572 local terms energy: -344.228856 where: bonds (distance) C4'-P energy: -62.742 bonds (distance) P-C4' energy: -76.584 flat angles C4'-P-C4' energy: -70.860 flat angles P-C4'-P energy: -49.193 tors. eta vs tors. theta energy: -84.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -873.707380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.707380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.707380 (E_RNA) where: Base-Base interactions energy: -564.204 where: short stacking energy: -264.920 Base-Backbone interact. energy: -1.737 local terms energy: -307.766650 where: bonds (distance) C4'-P energy: -66.221 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -68.192 flat angles P-C4'-P energy: -44.986 tors. eta vs tors. theta energy: -62.999 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: 3 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -827.705081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.705081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.705081 (E_RNA) where: Base-Base interactions energy: -525.740 where: short stacking energy: -244.484 Base-Backbone interact. energy: -1.101 local terms energy: -300.864485 where: bonds (distance) C4'-P energy: -69.345 bonds (distance) P-C4' energy: -60.509 flat angles C4'-P-C4' energy: -67.849 flat angles P-C4'-P energy: -39.311 tors. eta vs tors. theta energy: -63.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -700.039887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.039887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.039887 (E_RNA) where: Base-Base interactions energy: -432.865 where: short stacking energy: -187.487 Base-Backbone interact. energy: -0.167 local terms energy: -267.008279 where: bonds (distance) C4'-P energy: -59.309 bonds (distance) P-C4' energy: -60.770 flat angles C4'-P-C4' energy: -66.773 flat angles P-C4'-P energy: -40.402 tors. eta vs tors. theta energy: -39.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -602.913992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.913992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.913992 (E_RNA) where: Base-Base interactions energy: -361.991 where: short stacking energy: -163.929 Base-Backbone interact. energy: 1.958 local terms energy: -242.880524 where: bonds (distance) C4'-P energy: -64.496 bonds (distance) P-C4' energy: -53.417 flat angles C4'-P-C4' energy: -62.180 flat angles P-C4'-P energy: -40.479 tors. eta vs tors. theta energy: -22.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -439.751323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.751323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.751323 (E_RNA) where: Base-Base interactions energy: -238.296 where: short stacking energy: -140.703 Base-Backbone interact. energy: 2.014 local terms energy: -203.469585 where: bonds (distance) C4'-P energy: -53.029 bonds (distance) P-C4' energy: -51.326 flat angles C4'-P-C4' energy: -46.495 flat angles P-C4'-P energy: -35.160 tors. eta vs tors. theta energy: -17.460 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: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -292.854392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.854392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.854392 (E_RNA) where: Base-Base interactions energy: -96.704 where: short stacking energy: -80.368 Base-Backbone interact. energy: -0.654 local terms energy: -195.496519 where: bonds (distance) C4'-P energy: -59.987 bonds (distance) P-C4' energy: -60.442 flat angles C4'-P-C4' energy: -51.085 flat angles P-C4'-P energy: -33.521 tors. eta vs tors. theta energy: 9.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1183.450988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.450988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.450988 (E_RNA) where: Base-Base interactions energy: -789.526 where: short stacking energy: -365.618 Base-Backbone interact. energy: 0.752 local terms energy: -394.677505 where: bonds (distance) C4'-P energy: -72.030 bonds (distance) P-C4' energy: -72.796 flat angles C4'-P-C4' energy: -80.833 flat angles P-C4'-P energy: -52.981 tors. eta vs tors. theta energy: -116.038 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: 4 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1067.618940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.618940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.618940 (E_RNA) where: Base-Base interactions energy: -711.632 where: short stacking energy: -321.028 Base-Backbone interact. energy: -0.858 local terms energy: -355.128952 where: bonds (distance) C4'-P energy: -71.640 bonds (distance) P-C4' energy: -71.739 flat angles C4'-P-C4' energy: -76.458 flat angles P-C4'-P energy: -51.151 tors. eta vs tors. theta energy: -84.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1075.552429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.552429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.552429 (E_RNA) where: Base-Base interactions energy: -722.591 where: short stacking energy: -339.498 Base-Backbone interact. energy: -2.053 local terms energy: -350.907774 where: bonds (distance) C4'-P energy: -63.698 bonds (distance) P-C4' energy: -72.350 flat angles C4'-P-C4' energy: -70.708 flat angles P-C4'-P energy: -51.977 tors. eta vs tors. theta energy: -92.174 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: 6 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -987.568422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.568422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.568422 (E_RNA) where: Base-Base interactions energy: -654.732 where: short stacking energy: -301.929 Base-Backbone interact. energy: 0.839 local terms energy: -333.675273 where: bonds (distance) C4'-P energy: -64.072 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -66.853 flat angles P-C4'-P energy: -49.301 tors. eta vs tors. theta energy: -85.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -887.533119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.533119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.533119 (E_RNA) where: Base-Base interactions energy: -578.370 where: short stacking energy: -272.057 Base-Backbone interact. energy: -1.027 local terms energy: -308.136285 where: bonds (distance) C4'-P energy: -62.679 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -71.108 flat angles P-C4'-P energy: -45.403 tors. eta vs tors. theta energy: -70.267 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: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -857.406244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.406244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.406244 (E_RNA) where: Base-Base interactions energy: -557.538 where: short stacking energy: -253.021 Base-Backbone interact. energy: -0.446 local terms energy: -299.422736 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -68.782 flat angles C4'-P-C4' energy: -62.385 flat angles P-C4'-P energy: -59.665 tors. eta vs tors. theta energy: -53.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -671.969459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.969459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.969459 (E_RNA) where: Base-Base interactions energy: -413.894 where: short stacking energy: -181.998 Base-Backbone interact. energy: -1.969 local terms energy: -256.106793 where: bonds (distance) C4'-P energy: -50.399 bonds (distance) P-C4' energy: -77.837 flat angles C4'-P-C4' energy: -59.218 flat angles P-C4'-P energy: -31.953 tors. eta vs tors. theta energy: -36.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -572.164926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.164926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.164926 (E_RNA) where: Base-Base interactions energy: -352.411 where: short stacking energy: -167.290 Base-Backbone interact. energy: -0.256 local terms energy: -219.497313 where: bonds (distance) C4'-P energy: -54.272 bonds (distance) P-C4' energy: -56.861 flat angles C4'-P-C4' energy: -56.122 flat angles P-C4'-P energy: -31.048 tors. eta vs tors. theta energy: -21.195 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: 9, replica: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -409.452226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.452226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.452226 (E_RNA) where: Base-Base interactions energy: -191.548 where: short stacking energy: -118.018 Base-Backbone interact. energy: -0.219 local terms energy: -217.685342 where: bonds (distance) C4'-P energy: -50.273 bonds (distance) P-C4' energy: -69.116 flat angles C4'-P-C4' energy: -58.340 flat angles P-C4'-P energy: -22.266 tors. eta vs tors. theta energy: -17.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -295.932944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.932944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.932944 (E_RNA) where: Base-Base interactions energy: -121.099 where: short stacking energy: -100.815 Base-Backbone interact. energy: -1.312 local terms energy: -173.521941 where: bonds (distance) C4'-P energy: -50.079 bonds (distance) P-C4' energy: -50.950 flat angles C4'-P-C4' energy: -51.924 flat angles P-C4'-P energy: -32.712 tors. eta vs tors. theta energy: 12.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1181.153209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.153209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.153209 (E_RNA) where: Base-Base interactions energy: -792.929 where: short stacking energy: -376.350 Base-Backbone interact. energy: 1.399 local terms energy: -389.623097 where: bonds (distance) C4'-P energy: -69.793 bonds (distance) P-C4' energy: -73.339 flat angles C4'-P-C4' energy: -75.315 flat angles P-C4'-P energy: -54.692 tors. eta vs tors. theta energy: -116.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1026.963222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.963222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.963222 (E_RNA) where: Base-Base interactions energy: -677.512 where: short stacking energy: -297.809 Base-Backbone interact. energy: -0.347 local terms energy: -349.104748 where: bonds (distance) C4'-P energy: -66.751 bonds (distance) P-C4' energy: -74.424 flat angles C4'-P-C4' energy: -77.163 flat angles P-C4'-P energy: -51.172 tors. eta vs tors. theta energy: -79.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1063.470117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.470117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.470117 (E_RNA) where: Base-Base interactions energy: -730.987 where: short stacking energy: -326.233 Base-Backbone interact. energy: -1.371 local terms energy: -331.112152 where: bonds (distance) C4'-P energy: -64.553 bonds (distance) P-C4' energy: -60.054 flat angles C4'-P-C4' energy: -76.281 flat angles P-C4'-P energy: -48.299 tors. eta vs tors. theta energy: -81.925 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: 6 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -967.321719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.321719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.321719 (E_RNA) where: Base-Base interactions energy: -644.199 where: short stacking energy: -303.280 Base-Backbone interact. energy: 0.101 local terms energy: -323.224079 where: bonds (distance) C4'-P energy: -53.676 bonds (distance) P-C4' energy: -70.716 flat angles C4'-P-C4' energy: -67.888 flat angles P-C4'-P energy: -44.961 tors. eta vs tors. theta energy: -85.984 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: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -893.742181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.742181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.742181 (E_RNA) where: Base-Base interactions energy: -577.370 where: short stacking energy: -280.942 Base-Backbone interact. energy: -1.090 local terms energy: -315.281904 where: bonds (distance) C4'-P energy: -61.799 bonds (distance) P-C4' energy: -71.732 flat angles C4'-P-C4' energy: -67.345 flat angles P-C4'-P energy: -38.221 tors. eta vs tors. theta energy: -76.184 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: 6, replica: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -834.389728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.389728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.389728 (E_RNA) where: Base-Base interactions energy: -538.141 where: short stacking energy: -267.055 Base-Backbone interact. energy: -1.251 local terms energy: -294.997942 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -68.300 flat angles C4'-P-C4' energy: -67.525 flat angles P-C4'-P energy: -36.410 tors. eta vs tors. theta energy: -66.516 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: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -669.057612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.057612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.057612 (E_RNA) where: Base-Base interactions energy: -397.698 where: short stacking energy: -217.533 Base-Backbone interact. energy: 1.239 local terms energy: -272.597750 where: bonds (distance) C4'-P energy: -62.288 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -71.780 flat angles P-C4'-P energy: -28.078 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: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -602.182424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.182424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.182424 (E_RNA) where: Base-Base interactions energy: -376.356 where: short stacking energy: -165.889 Base-Backbone interact. energy: -1.743 local terms energy: -224.083522 where: bonds (distance) C4'-P energy: -60.240 bonds (distance) P-C4' energy: -67.915 flat angles C4'-P-C4' energy: -53.524 flat angles P-C4'-P energy: -20.659 tors. eta vs tors. theta energy: -21.746 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: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -432.557892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.557892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.557892 (E_RNA) where: Base-Base interactions energy: -197.030 where: short stacking energy: -118.694 Base-Backbone interact. energy: -0.315 local terms energy: -235.213033 where: bonds (distance) C4'-P energy: -60.877 bonds (distance) P-C4' energy: -67.452 flat angles C4'-P-C4' energy: -53.110 flat angles P-C4'-P energy: -48.884 tors. eta vs tors. theta energy: -4.889 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: 334 Temperature: 1.350000 Total energy: -295.751349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.751349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.751349 (E_RNA) where: Base-Base interactions energy: -107.553 where: short stacking energy: -84.773 Base-Backbone interact. energy: -2.195 local terms energy: -186.003002 where: bonds (distance) C4'-P energy: -57.467 bonds (distance) P-C4' energy: -57.798 flat angles C4'-P-C4' energy: -38.255 flat angles P-C4'-P energy: -33.025 tors. eta vs tors. theta energy: 0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1173.269562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.269562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.269562 (E_RNA) where: Base-Base interactions energy: -782.322 where: short stacking energy: -361.642 Base-Backbone interact. energy: -1.061 local terms energy: -389.886723 where: bonds (distance) C4'-P energy: -72.113 bonds (distance) P-C4' energy: -65.902 flat angles C4'-P-C4' energy: -82.625 flat angles P-C4'-P energy: -58.660 tors. eta vs tors. theta energy: -110.587 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: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1066.229743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.229743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.229743 (E_RNA) where: Base-Base interactions energy: -712.078 where: short stacking energy: -321.266 Base-Backbone interact. energy: -0.393 local terms energy: -353.757891 where: bonds (distance) C4'-P energy: -65.473 bonds (distance) P-C4' energy: -71.488 flat angles C4'-P-C4' energy: -74.610 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: -88.013 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: 335 Temperature: 1.000000 Total energy: -982.524535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.524535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.524535 (E_RNA) where: Base-Base interactions energy: -654.435 where: short stacking energy: -302.119 Base-Backbone interact. energy: 0.517 local terms energy: -328.606358 where: bonds (distance) C4'-P energy: -55.525 bonds (distance) P-C4' energy: -67.856 flat angles C4'-P-C4' energy: -72.802 flat angles P-C4'-P energy: -51.473 tors. eta vs tors. theta energy: -80.950 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: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -988.149885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.149885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.149885 (E_RNA) where: Base-Base interactions energy: -639.883 where: short stacking energy: -301.913 Base-Backbone interact. energy: -0.982 local terms energy: -347.284766 where: bonds (distance) C4'-P energy: -78.865 bonds (distance) P-C4' energy: -69.123 flat angles C4'-P-C4' energy: -69.499 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -83.601 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: 335 Temperature: 1.100000 Total energy: -891.438294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.438294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.438294 (E_RNA) where: Base-Base interactions energy: -587.516 where: short stacking energy: -281.386 Base-Backbone interact. energy: -0.828 local terms energy: -303.094215 where: bonds (distance) C4'-P energy: -60.420 bonds (distance) P-C4' energy: -57.724 flat angles C4'-P-C4' energy: -68.072 flat angles P-C4'-P energy: -44.604 tors. eta vs tors. theta energy: -72.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -811.173613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.173613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.173613 (E_RNA) where: Base-Base interactions energy: -524.150 where: short stacking energy: -241.620 Base-Backbone interact. energy: -1.369 local terms energy: -285.654980 where: bonds (distance) C4'-P energy: -62.638 bonds (distance) P-C4' energy: -56.296 flat angles C4'-P-C4' energy: -73.745 flat angles P-C4'-P energy: -30.476 tors. eta vs tors. theta energy: -62.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -699.997720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.997720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.997720 (E_RNA) where: Base-Base interactions energy: -439.397 where: short stacking energy: -232.360 Base-Backbone interact. energy: -0.069 local terms energy: -260.532170 where: bonds (distance) C4'-P energy: -62.329 bonds (distance) P-C4' energy: -58.146 flat angles C4'-P-C4' energy: -61.212 flat angles P-C4'-P energy: -33.787 tors. eta vs tors. theta energy: -45.058 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: 8, replica: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -590.420401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.420401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.420401 (E_RNA) where: Base-Base interactions energy: -352.713 where: short stacking energy: -160.710 Base-Backbone interact. energy: 0.763 local terms energy: -238.471019 where: bonds (distance) C4'-P energy: -57.718 bonds (distance) P-C4' energy: -63.087 flat angles C4'-P-C4' energy: -52.837 flat angles P-C4'-P energy: -27.767 tors. eta vs tors. theta energy: -37.062 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: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -400.924164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.924164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.924164 (E_RNA) where: Base-Base interactions energy: -185.764 where: short stacking energy: -124.000 Base-Backbone interact. energy: 1.506 local terms energy: -216.666253 where: bonds (distance) C4'-P energy: -60.153 bonds (distance) P-C4' energy: -61.806 flat angles C4'-P-C4' energy: -59.238 flat angles P-C4'-P energy: -26.559 tors. eta vs tors. theta energy: -8.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -286.055474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.055474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.055474 (E_RNA) where: Base-Base interactions energy: -105.795 where: short stacking energy: -88.045 Base-Backbone interact. energy: -1.436 local terms energy: -178.823874 where: bonds (distance) C4'-P energy: -57.321 bonds (distance) P-C4' energy: -56.041 flat angles C4'-P-C4' energy: -53.918 flat angles P-C4'-P energy: -20.662 tors. eta vs tors. theta energy: 9.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1176.335029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.335029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.335029 (E_RNA) where: Base-Base interactions energy: -801.234 where: short stacking energy: -375.313 Base-Backbone interact. energy: -1.097 local terms energy: -374.003644 where: bonds (distance) C4'-P energy: -63.398 bonds (distance) P-C4' energy: -71.431 flat angles C4'-P-C4' energy: -81.511 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: -112.109 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: 336 Temperature: 0.950000 Total energy: -1063.130654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.130654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.130654 (E_RNA) where: Base-Base interactions energy: -716.479 where: short stacking energy: -326.845 Base-Backbone interact. energy: -0.161 local terms energy: -346.491454 where: bonds (distance) C4'-P energy: -66.133 bonds (distance) P-C4' energy: -66.562 flat angles C4'-P-C4' energy: -71.299 flat angles P-C4'-P energy: -58.351 tors. eta vs tors. theta energy: -84.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1021.193641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.193641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.193641 (E_RNA) where: Base-Base interactions energy: -688.624 where: short stacking energy: -314.549 Base-Backbone interact. energy: -0.391 local terms energy: -332.178635 where: bonds (distance) C4'-P energy: -63.451 bonds (distance) P-C4' energy: -66.936 flat angles C4'-P-C4' energy: -80.535 flat angles P-C4'-P energy: -41.859 tors. eta vs tors. theta energy: -79.397 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: 4, replica: 6 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1014.995344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.995344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.995344 (E_RNA) where: Base-Base interactions energy: -664.241 where: short stacking energy: -321.884 Base-Backbone interact. energy: 1.963 local terms energy: -352.717828 where: bonds (distance) C4'-P energy: -65.093 bonds (distance) P-C4' energy: -69.774 flat angles C4'-P-C4' energy: -76.837 flat angles P-C4'-P energy: -50.219 tors. eta vs tors. theta energy: -90.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -890.151351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.151351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.151351 (E_RNA) where: Base-Base interactions energy: -583.223 where: short stacking energy: -273.637 Base-Backbone interact. energy: -1.888 local terms energy: -305.040348 where: bonds (distance) C4'-P energy: -58.870 bonds (distance) P-C4' energy: -57.137 flat angles C4'-P-C4' energy: -77.580 flat angles P-C4'-P energy: -45.186 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: 6, replica: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -848.400850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.400850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.400850 (E_RNA) where: Base-Base interactions energy: -558.942 where: short stacking energy: -269.174 Base-Backbone interact. energy: -0.758 local terms energy: -288.701662 where: bonds (distance) C4'-P energy: -55.348 bonds (distance) P-C4' energy: -73.832 flat angles C4'-P-C4' energy: -68.132 flat angles P-C4'-P energy: -32.364 tors. eta vs tors. theta energy: -59.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -687.320449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.320449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.320449 (E_RNA) where: Base-Base interactions energy: -426.263 where: short stacking energy: -207.676 Base-Backbone interact. energy: -1.431 local terms energy: -259.626251 where: bonds (distance) C4'-P energy: -55.206 bonds (distance) P-C4' energy: -64.136 flat angles C4'-P-C4' energy: -58.273 flat angles P-C4'-P energy: -40.046 tors. eta vs tors. theta energy: -41.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -601.621741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.621741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.621741 (E_RNA) where: Base-Base interactions energy: -350.513 where: short stacking energy: -182.345 Base-Backbone interact. energy: -0.863 local terms energy: -250.245948 where: bonds (distance) C4'-P energy: -67.679 bonds (distance) P-C4' energy: -55.888 flat angles C4'-P-C4' energy: -60.267 flat angles P-C4'-P energy: -40.002 tors. eta vs tors. theta energy: -26.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -448.609363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.609363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.609363 (E_RNA) where: Base-Base interactions energy: -223.551 where: short stacking energy: -142.417 Base-Backbone interact. energy: 0.490 local terms energy: -225.548550 where: bonds (distance) C4'-P energy: -55.043 bonds (distance) P-C4' energy: -61.368 flat angles C4'-P-C4' energy: -66.045 flat angles P-C4'-P energy: -27.407 tors. eta vs tors. theta energy: -15.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -327.139990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.139990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.139990 (E_RNA) where: Base-Base interactions energy: -146.815 where: short stacking energy: -88.784 Base-Backbone interact. energy: -1.243 local terms energy: -179.081197 where: bonds (distance) C4'-P energy: -55.298 bonds (distance) P-C4' energy: -64.401 flat angles C4'-P-C4' energy: -51.531 flat angles P-C4'-P energy: -17.336 tors. eta vs tors. theta energy: 9.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1181.049201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.049201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.049201 (E_RNA) where: Base-Base interactions energy: -807.334 where: short stacking energy: -368.988 Base-Backbone interact. energy: -0.268 local terms energy: -373.447095 where: bonds (distance) C4'-P energy: -65.416 bonds (distance) P-C4' energy: -62.083 flat angles C4'-P-C4' energy: -81.203 flat angles P-C4'-P energy: -56.384 tors. eta vs tors. theta energy: -108.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1083.429334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.429334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.429334 (E_RNA) where: Base-Base interactions energy: -729.627 where: short stacking energy: -324.917 Base-Backbone interact. energy: -1.230 local terms energy: -352.571761 where: bonds (distance) C4'-P energy: -65.333 bonds (distance) P-C4' energy: -72.175 flat angles C4'-P-C4' energy: -73.986 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: -91.733 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: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1027.458773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.458773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.458773 (E_RNA) where: Base-Base interactions energy: -693.890 where: short stacking energy: -317.240 Base-Backbone interact. energy: -2.969 local terms energy: -330.599752 where: bonds (distance) C4'-P energy: -65.609 bonds (distance) P-C4' energy: -70.143 flat angles C4'-P-C4' energy: -73.089 flat angles P-C4'-P energy: -40.063 tors. eta vs tors. theta energy: -81.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1009.762357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.762357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.762357 (E_RNA) where: Base-Base interactions energy: -667.078 where: short stacking energy: -319.360 Base-Backbone interact. energy: -0.820 local terms energy: -341.864898 where: bonds (distance) C4'-P energy: -62.286 bonds (distance) P-C4' energy: -64.508 flat angles C4'-P-C4' energy: -70.600 flat angles P-C4'-P energy: -49.604 tors. eta vs tors. theta energy: -94.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -867.484280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.484280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.484280 (E_RNA) where: Base-Base interactions energy: -558.528 where: short stacking energy: -247.801 Base-Backbone interact. energy: -1.830 local terms energy: -307.126041 where: bonds (distance) C4'-P energy: -50.401 bonds (distance) P-C4' energy: -66.826 flat angles C4'-P-C4' energy: -78.444 flat angles P-C4'-P energy: -37.470 tors. eta vs tors. theta energy: -73.984 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: 3 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -831.037166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.037166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.037166 (E_RNA) where: Base-Base interactions energy: -567.671 where: short stacking energy: -262.213 Base-Backbone interact. energy: -0.620 local terms energy: -262.746852 where: bonds (distance) C4'-P energy: -42.921 bonds (distance) P-C4' energy: -61.629 flat angles C4'-P-C4' energy: -62.040 flat angles P-C4'-P energy: -38.297 tors. eta vs tors. theta energy: -57.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -705.873589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.873589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.873589 (E_RNA) where: Base-Base interactions energy: -433.371 where: short stacking energy: -216.679 Base-Backbone interact. energy: 2.222 local terms energy: -274.724187 where: bonds (distance) C4'-P energy: -63.564 bonds (distance) P-C4' energy: -58.473 flat angles C4'-P-C4' energy: -65.254 flat angles P-C4'-P energy: -35.334 tors. eta vs tors. theta energy: -52.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -612.960912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.960912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.960912 (E_RNA) where: Base-Base interactions energy: -360.757 where: short stacking energy: -184.070 Base-Backbone interact. energy: 0.013 local terms energy: -252.217130 where: bonds (distance) C4'-P energy: -63.393 bonds (distance) P-C4' energy: -66.009 flat angles C4'-P-C4' energy: -61.865 flat angles P-C4'-P energy: -32.513 tors. eta vs tors. theta energy: -28.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -399.096067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.096067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.096067 (E_RNA) where: Base-Base interactions energy: -201.306 where: short stacking energy: -121.015 Base-Backbone interact. energy: 3.335 local terms energy: -201.124899 where: bonds (distance) C4'-P energy: -58.484 bonds (distance) P-C4' energy: -51.023 flat angles C4'-P-C4' energy: -53.075 flat angles P-C4'-P energy: -38.840 tors. eta vs tors. theta energy: 0.296 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: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -352.993716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.993716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.993716 (E_RNA) where: Base-Base interactions energy: -161.328 where: short stacking energy: -98.314 Base-Backbone interact. energy: -0.874 local terms energy: -190.791669 where: bonds (distance) C4'-P energy: -46.000 bonds (distance) P-C4' energy: -61.314 flat angles C4'-P-C4' energy: -58.021 flat angles P-C4'-P energy: -24.625 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1166.977724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.977724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.977724 (E_RNA) where: Base-Base interactions energy: -800.207 where: short stacking energy: -376.284 Base-Backbone interact. energy: 0.241 local terms energy: -367.012139 where: bonds (distance) C4'-P energy: -65.261 bonds (distance) P-C4' energy: -74.381 flat angles C4'-P-C4' energy: -75.430 flat angles P-C4'-P energy: -41.498 tors. eta vs tors. theta energy: -110.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1089.103392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.103392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.103392 (E_RNA) where: Base-Base interactions energy: -725.630 where: short stacking energy: -336.995 Base-Backbone interact. energy: -1.083 local terms energy: -362.390046 where: bonds (distance) C4'-P energy: -64.061 bonds (distance) P-C4' energy: -68.108 flat angles C4'-P-C4' energy: -81.423 flat angles P-C4'-P energy: -53.455 tors. eta vs tors. theta energy: -95.343 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: 3, replica: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1029.142418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.142418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.142418 (E_RNA) where: Base-Base interactions energy: -678.703 where: short stacking energy: -309.991 Base-Backbone interact. energy: -1.325 local terms energy: -349.114695 where: bonds (distance) C4'-P energy: -65.446 bonds (distance) P-C4' energy: -72.845 flat angles C4'-P-C4' energy: -71.949 flat angles P-C4'-P energy: -53.954 tors. eta vs tors. theta energy: -84.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -985.268544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.268544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.268544 (E_RNA) where: Base-Base interactions energy: -649.733 where: short stacking energy: -308.919 Base-Backbone interact. energy: -0.699 local terms energy: -334.836349 where: bonds (distance) C4'-P energy: -66.964 bonds (distance) P-C4' energy: -62.969 flat angles C4'-P-C4' energy: -70.782 flat angles P-C4'-P energy: -37.890 tors. eta vs tors. theta energy: -96.231 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: 3 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -861.874603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.874603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.874603 (E_RNA) where: Base-Base interactions energy: -537.415 where: short stacking energy: -237.994 Base-Backbone interact. energy: -0.327 local terms energy: -324.133094 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -65.726 flat angles C4'-P-C4' energy: -76.172 flat angles P-C4'-P energy: -53.802 tors. eta vs tors. theta energy: -62.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -855.155502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.155502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.155502 (E_RNA) where: Base-Base interactions energy: -571.163 where: short stacking energy: -259.153 Base-Backbone interact. energy: 0.874 local terms energy: -284.866509 where: bonds (distance) C4'-P energy: -47.028 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -67.993 flat angles P-C4'-P energy: -37.748 tors. eta vs tors. theta energy: -68.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -715.708512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.708512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.708512 (E_RNA) where: Base-Base interactions energy: -439.221 where: short stacking energy: -205.212 Base-Backbone interact. energy: -0.970 local terms energy: -275.517109 where: bonds (distance) C4'-P energy: -59.274 bonds (distance) P-C4' energy: -60.631 flat angles C4'-P-C4' energy: -69.051 flat angles P-C4'-P energy: -40.503 tors. eta vs tors. theta energy: -46.058 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: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -568.468774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.468774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.468774 (E_RNA) where: Base-Base interactions energy: -341.966 where: short stacking energy: -173.740 Base-Backbone interact. energy: -0.823 local terms energy: -225.679692 where: bonds (distance) C4'-P energy: -54.407 bonds (distance) P-C4' energy: -57.639 flat angles C4'-P-C4' energy: -63.348 flat angles P-C4'-P energy: -22.722 tors. eta vs tors. theta energy: -27.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -410.394747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.394747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.394747 (E_RNA) where: Base-Base interactions energy: -205.944 where: short stacking energy: -119.772 Base-Backbone interact. energy: 0.730 local terms energy: -205.180522 where: bonds (distance) C4'-P energy: -57.489 bonds (distance) P-C4' energy: -60.878 flat angles C4'-P-C4' energy: -45.532 flat angles P-C4'-P energy: -33.198 tors. eta vs tors. theta energy: -8.083 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: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -354.094931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.094931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.094931 (E_RNA) where: Base-Base interactions energy: -150.334 where: short stacking energy: -102.970 Base-Backbone interact. energy: 1.769 local terms energy: -205.530249 where: bonds (distance) C4'-P energy: -63.721 bonds (distance) P-C4' energy: -52.372 flat angles C4'-P-C4' energy: -47.816 flat angles P-C4'-P energy: -38.178 tors. eta vs tors. theta energy: -3.445 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: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1175.354181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.354181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.354181 (E_RNA) where: Base-Base interactions energy: -792.965 where: short stacking energy: -363.799 Base-Backbone interact. energy: -0.093 local terms energy: -382.295994 where: bonds (distance) C4'-P energy: -70.987 bonds (distance) P-C4' energy: -76.331 flat angles C4'-P-C4' energy: -76.573 flat angles P-C4'-P energy: -46.739 tors. eta vs tors. theta energy: -111.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1081.806041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.806041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.806041 (E_RNA) where: Base-Base interactions energy: -728.681 where: short stacking energy: -334.200 Base-Backbone interact. energy: -1.140 local terms energy: -351.984663 where: bonds (distance) C4'-P energy: -69.048 bonds (distance) P-C4' energy: -73.209 flat angles C4'-P-C4' energy: -73.914 flat angles P-C4'-P energy: -43.016 tors. eta vs tors. theta energy: -92.798 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: 3, replica: 4 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1026.673071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.673071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.673071 (E_RNA) where: Base-Base interactions energy: -672.238 where: short stacking energy: -303.857 Base-Backbone interact. energy: 3.546 local terms energy: -357.980838 where: bonds (distance) C4'-P energy: -59.790 bonds (distance) P-C4' energy: -74.523 flat angles C4'-P-C4' energy: -78.865 flat angles P-C4'-P energy: -62.232 tors. eta vs tors. theta energy: -82.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1017.818896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.818896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.818896 (E_RNA) where: Base-Base interactions energy: -656.815 where: short stacking energy: -312.538 Base-Backbone interact. energy: -0.774 local terms energy: -360.230060 where: bonds (distance) C4'-P energy: -69.890 bonds (distance) P-C4' energy: -71.890 flat angles C4'-P-C4' energy: -79.023 flat angles P-C4'-P energy: -44.956 tors. eta vs tors. theta energy: -94.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -869.751674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.751674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.751674 (E_RNA) where: Base-Base interactions energy: -563.843 where: short stacking energy: -273.527 Base-Backbone interact. energy: -1.284 local terms energy: -304.624109 where: bonds (distance) C4'-P energy: -62.359 bonds (distance) P-C4' energy: -55.037 flat angles C4'-P-C4' energy: -70.604 flat angles P-C4'-P energy: -39.773 tors. eta vs tors. theta energy: -76.851 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: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -880.508889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.508889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.508889 (E_RNA) where: Base-Base interactions energy: -572.688 where: short stacking energy: -282.676 Base-Backbone interact. energy: 1.044 local terms energy: -308.864682 where: bonds (distance) C4'-P energy: -48.889 bonds (distance) P-C4' energy: -62.264 flat angles C4'-P-C4' energy: -71.634 flat angles P-C4'-P energy: -52.343 tors. eta vs tors. theta energy: -73.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -666.827812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.827812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.827812 (E_RNA) where: Base-Base interactions energy: -407.451 where: short stacking energy: -200.301 Base-Backbone interact. energy: 0.675 local terms energy: -260.051905 where: bonds (distance) C4'-P energy: -62.685 bonds (distance) P-C4' energy: -52.773 flat angles C4'-P-C4' energy: -53.288 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: -47.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -584.920386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.920386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.920386 (E_RNA) where: Base-Base interactions energy: -329.467 where: short stacking energy: -172.906 Base-Backbone interact. energy: 2.065 local terms energy: -257.517444 where: bonds (distance) C4'-P energy: -55.369 bonds (distance) P-C4' energy: -68.972 flat angles C4'-P-C4' energy: -73.127 flat angles P-C4'-P energy: -25.654 tors. eta vs tors. theta energy: -34.396 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: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -454.397471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.397471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.397471 (E_RNA) where: Base-Base interactions energy: -241.687 where: short stacking energy: -131.855 Base-Backbone interact. energy: -1.780 local terms energy: -210.931259 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -62.936 flat angles C4'-P-C4' energy: -59.340 flat angles P-C4'-P energy: -25.714 tors. eta vs tors. theta energy: 1.613 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: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -345.905489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.905489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.905489 (E_RNA) where: Base-Base interactions energy: -155.453 where: short stacking energy: -118.658 Base-Backbone interact. energy: 1.271 local terms energy: -191.723337 where: bonds (distance) C4'-P energy: -56.486 bonds (distance) P-C4' energy: -62.554 flat angles C4'-P-C4' energy: -39.269 flat angles P-C4'-P energy: -26.214 tors. eta vs tors. theta energy: -7.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1178.854232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.854232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.854232 (E_RNA) where: Base-Base interactions energy: -798.346 where: short stacking energy: -359.589 Base-Backbone interact. energy: -2.311 local terms energy: -378.197713 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -66.290 flat angles C4'-P-C4' energy: -78.174 flat angles P-C4'-P energy: -56.456 tors. eta vs tors. theta energy: -109.581 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: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1084.510919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.510919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.510919 (E_RNA) where: Base-Base interactions energy: -723.405 where: short stacking energy: -335.229 Base-Backbone interact. energy: 1.259 local terms energy: -362.364855 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -62.975 flat angles C4'-P-C4' energy: -74.901 flat angles P-C4'-P energy: -45.700 tors. eta vs tors. theta energy: -103.167 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: 340 Temperature: 1.000000 Total energy: -1009.580607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.580607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.580607 (E_RNA) where: Base-Base interactions energy: -677.623 where: short stacking energy: -300.396 Base-Backbone interact. energy: 4.983 local terms energy: -336.941090 where: bonds (distance) C4'-P energy: -64.668 bonds (distance) P-C4' energy: -64.236 flat angles C4'-P-C4' energy: -82.026 flat angles P-C4'-P energy: -39.746 tors. eta vs tors. theta energy: -86.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1013.600669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.600669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.600669 (E_RNA) where: Base-Base interactions energy: -651.131 where: short stacking energy: -326.525 Base-Backbone interact. energy: -0.300 local terms energy: -362.169668 where: bonds (distance) C4'-P energy: -70.265 bonds (distance) P-C4' energy: -75.726 flat angles C4'-P-C4' energy: -72.661 flat angles P-C4'-P energy: -45.591 tors. eta vs tors. theta energy: -97.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -918.399095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.399095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.399095 (E_RNA) where: Base-Base interactions energy: -609.099 where: short stacking energy: -288.025 Base-Backbone interact. energy: 0.449 local terms energy: -309.748385 where: bonds (distance) C4'-P energy: -59.018 bonds (distance) P-C4' energy: -58.263 flat angles C4'-P-C4' energy: -59.905 flat angles P-C4'-P energy: -45.971 tors. eta vs tors. theta energy: -86.590 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: 3 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -823.017701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.017701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.017701 (E_RNA) where: Base-Base interactions energy: -540.271 where: short stacking energy: -259.479 Base-Backbone interact. energy: -0.408 local terms energy: -282.339627 where: bonds (distance) C4'-P energy: -59.064 bonds (distance) P-C4' energy: -49.567 flat angles C4'-P-C4' energy: -75.194 flat angles P-C4'-P energy: -32.552 tors. eta vs tors. theta energy: -65.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -707.596579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.596579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.596579 (E_RNA) where: Base-Base interactions energy: -429.201 where: short stacking energy: -218.257 Base-Backbone interact. energy: -0.469 local terms energy: -277.926713 where: bonds (distance) C4'-P energy: -61.182 bonds (distance) P-C4' energy: -61.060 flat angles C4'-P-C4' energy: -55.125 flat angles P-C4'-P energy: -50.130 tors. eta vs tors. theta energy: -50.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -538.314732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.314732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.314732 (E_RNA) where: Base-Base interactions energy: -309.642 where: short stacking energy: -178.792 Base-Backbone interact. energy: -0.123 local terms energy: -228.550246 where: bonds (distance) C4'-P energy: -43.239 bonds (distance) P-C4' energy: -59.018 flat angles C4'-P-C4' energy: -53.635 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: -30.460 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: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -446.795883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.795883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.795883 (E_RNA) where: Base-Base interactions energy: -239.669 where: short stacking energy: -144.040 Base-Backbone interact. energy: -0.435 local terms energy: -206.692260 where: bonds (distance) C4'-P energy: -49.837 bonds (distance) P-C4' energy: -52.010 flat angles C4'-P-C4' energy: -46.478 flat angles P-C4'-P energy: -48.146 tors. eta vs tors. theta energy: -10.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -324.749180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.749180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.749180 (E_RNA) where: Base-Base interactions energy: -140.228 where: short stacking energy: -97.171 Base-Backbone interact. energy: -0.289 local terms energy: -184.232483 where: bonds (distance) C4'-P energy: -43.685 bonds (distance) P-C4' energy: -59.158 flat angles C4'-P-C4' energy: -49.086 flat angles P-C4'-P energy: -28.409 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1170.604706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.604706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.604706 (E_RNA) where: Base-Base interactions energy: -799.267 where: short stacking energy: -367.151 Base-Backbone interact. energy: 0.442 local terms energy: -371.779366 where: bonds (distance) C4'-P energy: -60.557 bonds (distance) P-C4' energy: -70.334 flat angles C4'-P-C4' energy: -82.887 flat angles P-C4'-P energy: -51.685 tors. eta vs tors. theta energy: -106.316 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: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1082.152997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.152997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.152997 (E_RNA) where: Base-Base interactions energy: -728.692 where: short stacking energy: -342.059 Base-Backbone interact. energy: -0.109 local terms energy: -353.352273 where: bonds (distance) C4'-P energy: -63.539 bonds (distance) P-C4' energy: -73.417 flat angles C4'-P-C4' energy: -73.578 flat angles P-C4'-P energy: -50.209 tors. eta vs tors. theta energy: -92.610 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: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -997.070119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.070119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.070119 (E_RNA) where: Base-Base interactions energy: -672.670 where: short stacking energy: -306.823 Base-Backbone interact. energy: 0.225 local terms energy: -324.625275 where: bonds (distance) C4'-P energy: -60.717 bonds (distance) P-C4' energy: -55.897 flat angles C4'-P-C4' energy: -81.726 flat angles P-C4'-P energy: -44.611 tors. eta vs tors. theta energy: -81.673 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: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -988.566745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.566745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.566745 (E_RNA) where: Base-Base interactions energy: -633.328 where: short stacking energy: -311.478 Base-Backbone interact. energy: -0.479 local terms energy: -354.758832 where: bonds (distance) C4'-P energy: -71.556 bonds (distance) P-C4' energy: -71.481 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -47.204 tors. eta vs tors. theta energy: -89.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -949.659145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.659145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.659145 (E_RNA) where: Base-Base interactions energy: -627.714 where: short stacking energy: -301.443 Base-Backbone interact. energy: 0.064 local terms energy: -322.009708 where: bonds (distance) C4'-P energy: -61.269 bonds (distance) P-C4' energy: -51.600 flat angles C4'-P-C4' energy: -72.285 flat angles P-C4'-P energy: -56.984 tors. eta vs tors. theta energy: -79.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -799.647706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.647706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.647706 (E_RNA) where: Base-Base interactions energy: -519.785 where: short stacking energy: -243.599 Base-Backbone interact. energy: -0.696 local terms energy: -279.166538 where: bonds (distance) C4'-P energy: -53.395 bonds (distance) P-C4' energy: -56.717 flat angles C4'-P-C4' energy: -63.183 flat angles P-C4'-P energy: -45.168 tors. eta vs tors. theta energy: -60.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -647.894350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.894350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.894350 (E_RNA) where: Base-Base interactions energy: -407.072 where: short stacking energy: -194.348 Base-Backbone interact. energy: 0.053 local terms energy: -240.875296 where: bonds (distance) C4'-P energy: -52.186 bonds (distance) P-C4' energy: -57.392 flat angles C4'-P-C4' energy: -58.158 flat angles P-C4'-P energy: -42.799 tors. eta vs tors. theta energy: -30.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -544.584792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.584792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.584792 (E_RNA) where: Base-Base interactions energy: -308.314 where: short stacking energy: -169.436 Base-Backbone interact. energy: 0.545 local terms energy: -236.815903 where: bonds (distance) C4'-P energy: -50.334 bonds (distance) P-C4' energy: -67.354 flat angles C4'-P-C4' energy: -56.229 flat angles P-C4'-P energy: -28.626 tors. eta vs tors. theta energy: -34.273 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: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -437.716753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.716753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.716753 (E_RNA) where: Base-Base interactions energy: -222.445 where: short stacking energy: -115.851 Base-Backbone interact. energy: 1.602 local terms energy: -216.873336 where: bonds (distance) C4'-P energy: -55.760 bonds (distance) P-C4' energy: -77.013 flat angles C4'-P-C4' energy: -46.806 flat angles P-C4'-P energy: -33.763 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -340.275515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.275515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.275515 (E_RNA) where: Base-Base interactions energy: -169.461 where: short stacking energy: -90.340 Base-Backbone interact. energy: -1.153 local terms energy: -169.661618 where: bonds (distance) C4'-P energy: -55.195 bonds (distance) P-C4' energy: -55.752 flat angles C4'-P-C4' energy: -40.283 flat angles P-C4'-P energy: -29.931 tors. eta vs tors. theta energy: 11.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1195.275194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.275194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.275194 (E_RNA) where: Base-Base interactions energy: -820.795 where: short stacking energy: -377.589 Base-Backbone interact. energy: -0.207 local terms energy: -374.273456 where: bonds (distance) C4'-P energy: -52.272 bonds (distance) P-C4' energy: -66.925 flat angles C4'-P-C4' energy: -83.120 flat angles P-C4'-P energy: -59.406 tors. eta vs tors. theta energy: -112.551 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: 342 Temperature: 0.950000 Total energy: -1076.057935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.057935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.057935 (E_RNA) where: Base-Base interactions energy: -725.410 where: short stacking energy: -345.277 Base-Backbone interact. energy: 3.049 local terms energy: -353.696463 where: bonds (distance) C4'-P energy: -70.360 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -73.588 flat angles P-C4'-P energy: -51.964 tors. eta vs tors. theta energy: -95.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1051.132315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.132315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.132315 (E_RNA) where: Base-Base interactions energy: -691.500 where: short stacking energy: -347.293 Base-Backbone interact. energy: -0.583 local terms energy: -359.049182 where: bonds (distance) C4'-P energy: -67.515 bonds (distance) P-C4' energy: -60.308 flat angles C4'-P-C4' energy: -84.613 flat angles P-C4'-P energy: -47.323 tors. eta vs tors. theta energy: -99.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -991.083055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.083055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.083055 (E_RNA) where: Base-Base interactions energy: -654.693 where: short stacking energy: -299.343 Base-Backbone interact. energy: -1.380 local terms energy: -335.009595 where: bonds (distance) C4'-P energy: -68.456 bonds (distance) P-C4' energy: -62.059 flat angles C4'-P-C4' energy: -73.061 flat angles P-C4'-P energy: -48.832 tors. eta vs tors. theta energy: -82.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -963.828862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.828862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.828862 (E_RNA) where: Base-Base interactions energy: -634.858 where: short stacking energy: -308.349 Base-Backbone interact. energy: 1.286 local terms energy: -330.257109 where: bonds (distance) C4'-P energy: -59.978 bonds (distance) P-C4' energy: -72.230 flat angles C4'-P-C4' energy: -70.461 flat angles P-C4'-P energy: -40.324 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: 6, replica: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -819.117966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.117966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.117966 (E_RNA) where: Base-Base interactions energy: -548.597 where: short stacking energy: -266.618 Base-Backbone interact. energy: -0.777 local terms energy: -269.744307 where: bonds (distance) C4'-P energy: -57.880 bonds (distance) P-C4' energy: -60.899 flat angles C4'-P-C4' energy: -61.985 flat angles P-C4'-P energy: -20.308 tors. eta vs tors. theta energy: -68.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -678.350946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.350946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.350946 (E_RNA) where: Base-Base interactions energy: -414.582 where: short stacking energy: -196.826 Base-Backbone interact. energy: -0.392 local terms energy: -263.377345 where: bonds (distance) C4'-P energy: -61.266 bonds (distance) P-C4' energy: -64.721 flat angles C4'-P-C4' energy: -57.711 flat angles P-C4'-P energy: -35.733 tors. eta vs tors. theta energy: -43.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -589.358558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.358558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.358558 (E_RNA) where: Base-Base interactions energy: -337.386 where: short stacking energy: -183.455 Base-Backbone interact. energy: -0.052 local terms energy: -251.921062 where: bonds (distance) C4'-P energy: -60.379 bonds (distance) P-C4' energy: -65.277 flat angles C4'-P-C4' energy: -64.276 flat angles P-C4'-P energy: -27.915 tors. eta vs tors. theta energy: -34.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -488.955660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.955660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.955660 (E_RNA) where: Base-Base interactions energy: -283.377 where: short stacking energy: -164.502 Base-Backbone interact. energy: -1.763 local terms energy: -203.815790 where: bonds (distance) C4'-P energy: -47.725 bonds (distance) P-C4' energy: -46.179 flat angles C4'-P-C4' energy: -43.433 flat angles P-C4'-P energy: -31.080 tors. eta vs tors. theta energy: -35.397 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: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -375.247614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.247614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.247614 (E_RNA) where: Base-Base interactions energy: -183.973 where: short stacking energy: -111.899 Base-Backbone interact. energy: -1.050 local terms energy: -190.225298 where: bonds (distance) C4'-P energy: -56.874 bonds (distance) P-C4' energy: -56.488 flat angles C4'-P-C4' energy: -45.975 flat angles P-C4'-P energy: -31.082 tors. eta vs tors. theta energy: 0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1172.634516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.634516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.634516 (E_RNA) where: Base-Base interactions energy: -778.569 where: short stacking energy: -346.642 Base-Backbone interact. energy: -1.488 local terms energy: -392.577761 where: bonds (distance) C4'-P energy: -72.723 bonds (distance) P-C4' energy: -69.019 flat angles C4'-P-C4' energy: -81.820 flat angles P-C4'-P energy: -60.900 tors. eta vs tors. theta energy: -108.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1067.265172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.265172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.265172 (E_RNA) where: Base-Base interactions energy: -716.327 where: short stacking energy: -327.304 Base-Backbone interact. energy: 0.336 local terms energy: -351.273875 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -70.299 flat angles C4'-P-C4' energy: -76.101 flat angles P-C4'-P energy: -47.467 tors. eta vs tors. theta energy: -88.908 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: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1026.739505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.739505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.739505 (E_RNA) where: Base-Base interactions energy: -669.840 where: short stacking energy: -314.014 Base-Backbone interact. energy: -1.210 local terms energy: -355.688726 where: bonds (distance) C4'-P energy: -58.513 bonds (distance) P-C4' energy: -72.268 flat angles C4'-P-C4' energy: -73.499 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -93.655 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: 343 Temperature: 1.050000 Total energy: -1006.247144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.247144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.247144 (E_RNA) where: Base-Base interactions energy: -670.518 where: short stacking energy: -319.394 Base-Backbone interact. energy: -0.948 local terms energy: -334.780337 where: bonds (distance) C4'-P energy: -69.828 bonds (distance) P-C4' energy: -63.575 flat angles C4'-P-C4' energy: -75.682 flat angles P-C4'-P energy: -43.935 tors. eta vs tors. theta energy: -81.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -921.496798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.496798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.496798 (E_RNA) where: Base-Base interactions energy: -611.051 where: short stacking energy: -283.908 Base-Backbone interact. energy: -1.224 local terms energy: -309.221690 where: bonds (distance) C4'-P energy: -57.903 bonds (distance) P-C4' energy: -52.527 flat angles C4'-P-C4' energy: -73.028 flat angles P-C4'-P energy: -46.192 tors. eta vs tors. theta energy: -79.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -813.656461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.656461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.656461 (E_RNA) where: Base-Base interactions energy: -513.975 where: short stacking energy: -220.697 Base-Backbone interact. energy: -1.203 local terms energy: -298.478159 where: bonds (distance) C4'-P energy: -66.447 bonds (distance) P-C4' energy: -61.937 flat angles C4'-P-C4' energy: -76.130 flat angles P-C4'-P energy: -40.381 tors. eta vs tors. theta energy: -53.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -704.485286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.485286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.485286 (E_RNA) where: Base-Base interactions energy: -409.362 where: short stacking energy: -223.137 Base-Backbone interact. energy: -0.336 local terms energy: -294.787513 where: bonds (distance) C4'-P energy: -63.599 bonds (distance) P-C4' energy: -61.340 flat angles C4'-P-C4' energy: -63.554 flat angles P-C4'-P energy: -44.787 tors. eta vs tors. theta energy: -61.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -550.787000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.787000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.787000 (E_RNA) where: Base-Base interactions energy: -302.460 where: short stacking energy: -174.160 Base-Backbone interact. energy: -0.974 local terms energy: -247.352901 where: bonds (distance) C4'-P energy: -52.541 bonds (distance) P-C4' energy: -64.228 flat angles C4'-P-C4' energy: -59.728 flat angles P-C4'-P energy: -38.291 tors. eta vs tors. theta energy: -32.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -503.890559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.890559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.890559 (E_RNA) where: Base-Base interactions energy: -284.588 where: short stacking energy: -164.008 Base-Backbone interact. energy: 2.459 local terms energy: -221.761717 where: bonds (distance) C4'-P energy: -55.588 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -34.951 flat angles P-C4'-P energy: -28.847 tors. eta vs tors. theta energy: -38.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -404.465353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.465353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.465353 (E_RNA) where: Base-Base interactions energy: -195.835 where: short stacking energy: -128.485 Base-Backbone interact. energy: 1.798 local terms energy: -210.428191 where: bonds (distance) C4'-P energy: -49.907 bonds (distance) P-C4' energy: -65.266 flat angles C4'-P-C4' energy: -54.208 flat angles P-C4'-P energy: -33.179 tors. eta vs tors. theta energy: -7.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1157.244059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.244059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.244059 (E_RNA) where: Base-Base interactions energy: -786.947 where: short stacking energy: -362.034 Base-Backbone interact. energy: -1.732 local terms energy: -368.564676 where: bonds (distance) C4'-P energy: -72.147 bonds (distance) P-C4' energy: -63.740 flat angles C4'-P-C4' energy: -83.286 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: -100.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1064.294884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.294884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.294884 (E_RNA) where: Base-Base interactions energy: -694.326 where: short stacking energy: -330.812 Base-Backbone interact. energy: -2.074 local terms energy: -367.895394 where: bonds (distance) C4'-P energy: -72.089 bonds (distance) P-C4' energy: -67.019 flat angles C4'-P-C4' energy: -73.095 flat angles P-C4'-P energy: -59.926 tors. eta vs tors. theta energy: -95.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1028.110386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.110386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.110386 (E_RNA) where: Base-Base interactions energy: -676.226 where: short stacking energy: -330.376 Base-Backbone interact. energy: 2.212 local terms energy: -354.096102 where: bonds (distance) C4'-P energy: -62.823 bonds (distance) P-C4' energy: -76.917 flat angles C4'-P-C4' energy: -71.558 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -92.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1007.937147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.937147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.937147 (E_RNA) where: Base-Base interactions energy: -672.560 where: short stacking energy: -318.500 Base-Backbone interact. energy: -0.301 local terms energy: -335.075811 where: bonds (distance) C4'-P energy: -53.699 bonds (distance) P-C4' energy: -70.350 flat angles C4'-P-C4' energy: -71.782 flat angles P-C4'-P energy: -49.154 tors. eta vs tors. theta energy: -90.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -917.320538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.320538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.320538 (E_RNA) where: Base-Base interactions energy: -610.759 where: short stacking energy: -280.171 Base-Backbone interact. energy: -0.462 local terms energy: -306.098947 where: bonds (distance) C4'-P energy: -57.759 bonds (distance) P-C4' energy: -65.700 flat angles C4'-P-C4' energy: -73.464 flat angles P-C4'-P energy: -37.044 tors. eta vs tors. theta energy: -72.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -820.103115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.103115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.103115 (E_RNA) where: Base-Base interactions energy: -538.173 where: short stacking energy: -250.962 Base-Backbone interact. energy: -0.321 local terms energy: -281.608806 where: bonds (distance) C4'-P energy: -51.107 bonds (distance) P-C4' energy: -65.837 flat angles C4'-P-C4' energy: -66.092 flat angles P-C4'-P energy: -35.220 tors. eta vs tors. theta energy: -63.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -685.963317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.963317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.963317 (E_RNA) where: Base-Base interactions energy: -406.794 where: short stacking energy: -216.502 Base-Backbone interact. energy: 0.759 local terms energy: -279.928053 where: bonds (distance) C4'-P energy: -69.289 bonds (distance) P-C4' energy: -64.112 flat angles C4'-P-C4' energy: -60.268 flat angles P-C4'-P energy: -42.762 tors. eta vs tors. theta energy: -43.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -553.864195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.864195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.864195 (E_RNA) where: Base-Base interactions energy: -318.770 where: short stacking energy: -153.667 Base-Backbone interact. energy: 6.043 local terms energy: -241.137580 where: bonds (distance) C4'-P energy: -57.680 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -58.724 flat angles P-C4'-P energy: -27.973 tors. eta vs tors. theta energy: -27.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -404.089819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.089819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.089819 (E_RNA) where: Base-Base interactions energy: -198.909 where: short stacking energy: -127.805 Base-Backbone interact. energy: 5.190 local terms energy: -210.370281 where: bonds (distance) C4'-P energy: -43.735 bonds (distance) P-C4' energy: -64.010 flat angles C4'-P-C4' energy: -57.656 flat angles P-C4'-P energy: -25.394 tors. eta vs tors. theta energy: -19.575 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: 344 Temperature: 1.350000 Total energy: -437.743235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.743235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.743235 (E_RNA) where: Base-Base interactions energy: -247.663 where: short stacking energy: -123.810 Base-Backbone interact. energy: -3.067 local terms energy: -187.012315 where: bonds (distance) C4'-P energy: -54.257 bonds (distance) P-C4' energy: -53.093 flat angles C4'-P-C4' energy: -50.265 flat angles P-C4'-P energy: -29.819 tors. eta vs tors. theta energy: 0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1184.142487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.142487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.142487 (E_RNA) where: Base-Base interactions energy: -817.289 where: short stacking energy: -365.519 Base-Backbone interact. energy: 2.345 local terms energy: -369.199184 where: bonds (distance) C4'-P energy: -61.768 bonds (distance) P-C4' energy: -67.811 flat angles C4'-P-C4' energy: -75.305 flat angles P-C4'-P energy: -56.425 tors. eta vs tors. theta energy: -107.889 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: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1087.865240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.865240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.865240 (E_RNA) where: Base-Base interactions energy: -728.657 where: short stacking energy: -321.241 Base-Backbone interact. energy: -1.537 local terms energy: -357.671516 where: bonds (distance) C4'-P energy: -70.298 bonds (distance) P-C4' energy: -68.091 flat angles C4'-P-C4' energy: -82.762 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -93.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -981.270244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.270244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.270244 (E_RNA) where: Base-Base interactions energy: -643.362 where: short stacking energy: -312.742 Base-Backbone interact. energy: -0.913 local terms energy: -336.995906 where: bonds (distance) C4'-P energy: -63.577 bonds (distance) P-C4' energy: -72.399 flat angles C4'-P-C4' energy: -73.071 flat angles P-C4'-P energy: -44.581 tors. eta vs tors. theta energy: -83.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -934.819325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.819325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.819325 (E_RNA) where: Base-Base interactions energy: -630.393 where: short stacking energy: -293.790 Base-Backbone interact. energy: -0.854 local terms energy: -303.572841 where: bonds (distance) C4'-P energy: -67.108 bonds (distance) P-C4' energy: -64.381 flat angles C4'-P-C4' energy: -65.638 flat angles P-C4'-P energy: -35.831 tors. eta vs tors. theta energy: -70.616 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: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -951.345652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.345652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.345652 (E_RNA) where: Base-Base interactions energy: -632.313 where: short stacking energy: -292.332 Base-Backbone interact. energy: -0.620 local terms energy: -318.411761 where: bonds (distance) C4'-P energy: -69.875 bonds (distance) P-C4' energy: -67.608 flat angles C4'-P-C4' energy: -64.816 flat angles P-C4'-P energy: -42.162 tors. eta vs tors. theta energy: -73.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -812.415272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.415272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.415272 (E_RNA) where: Base-Base interactions energy: -503.456 where: short stacking energy: -246.429 Base-Backbone interact. energy: -0.997 local terms energy: -307.962623 where: bonds (distance) C4'-P energy: -67.322 bonds (distance) P-C4' energy: -65.388 flat angles C4'-P-C4' energy: -63.628 flat angles P-C4'-P energy: -49.068 tors. eta vs tors. theta energy: -62.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -661.734165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.734165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.734165 (E_RNA) where: Base-Base interactions energy: -376.240 where: short stacking energy: -204.821 Base-Backbone interact. energy: -1.311 local terms energy: -284.183152 where: bonds (distance) C4'-P energy: -60.585 bonds (distance) P-C4' energy: -64.218 flat angles C4'-P-C4' energy: -64.448 flat angles P-C4'-P energy: -38.592 tors. eta vs tors. theta energy: -56.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -558.474599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.474599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.474599 (E_RNA) where: Base-Base interactions energy: -312.240 where: short stacking energy: -168.793 Base-Backbone interact. energy: 0.886 local terms energy: -247.120271 where: bonds (distance) C4'-P energy: -61.247 bonds (distance) P-C4' energy: -70.249 flat angles C4'-P-C4' energy: -55.055 flat angles P-C4'-P energy: -34.056 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: 9, replica: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -412.439513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.439513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.439513 (E_RNA) where: Base-Base interactions energy: -202.749 where: short stacking energy: -125.662 Base-Backbone interact. energy: -1.230 local terms energy: -208.459729 where: bonds (distance) C4'-P energy: -56.010 bonds (distance) P-C4' energy: -71.030 flat angles C4'-P-C4' energy: -46.340 flat angles P-C4'-P energy: -27.509 tors. eta vs tors. theta energy: -7.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -431.115849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.115849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.115849 (E_RNA) where: Base-Base interactions energy: -243.685 where: short stacking energy: -114.407 Base-Backbone interact. energy: -0.930 local terms energy: -186.500191 where: bonds (distance) C4'-P energy: -58.635 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -43.871 flat angles P-C4'-P energy: -28.426 tors. eta vs tors. theta energy: 3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1181.154239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.154239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.154239 (E_RNA) where: Base-Base interactions energy: -796.707 where: short stacking energy: -378.364 Base-Backbone interact. energy: -0.960 local terms energy: -383.488086 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -73.844 flat angles C4'-P-C4' energy: -76.146 flat angles P-C4'-P energy: -55.880 tors. eta vs tors. theta energy: -113.427 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: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1113.491906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.491906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.491906 (E_RNA) where: Base-Base interactions energy: -753.992 where: short stacking energy: -343.324 Base-Backbone interact. energy: 0.194 local terms energy: -359.693796 where: bonds (distance) C4'-P energy: -58.706 bonds (distance) P-C4' energy: -71.389 flat angles C4'-P-C4' energy: -79.424 flat angles P-C4'-P energy: -49.474 tors. eta vs tors. theta energy: -100.701 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: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1004.390984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.390984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.390984 (E_RNA) where: Base-Base interactions energy: -672.695 where: short stacking energy: -334.342 Base-Backbone interact. energy: -3.039 local terms energy: -328.657242 where: bonds (distance) C4'-P energy: -62.605 bonds (distance) P-C4' energy: -60.499 flat angles C4'-P-C4' energy: -73.848 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: -90.453 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: 346 Temperature: 1.050000 Total energy: -931.015013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.015013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.015013 (E_RNA) where: Base-Base interactions energy: -606.168 where: short stacking energy: -288.698 Base-Backbone interact. energy: -0.758 local terms energy: -324.089139 where: bonds (distance) C4'-P energy: -69.773 bonds (distance) P-C4' energy: -65.546 flat angles C4'-P-C4' energy: -66.325 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -81.782 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: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -964.367113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.367113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.367113 (E_RNA) where: Base-Base interactions energy: -658.766 where: short stacking energy: -301.498 Base-Backbone interact. energy: -0.794 local terms energy: -304.807241 where: bonds (distance) C4'-P energy: -55.142 bonds (distance) P-C4' energy: -61.587 flat angles C4'-P-C4' energy: -66.652 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: -77.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -786.120298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.120298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.120298 (E_RNA) where: Base-Base interactions energy: -511.580 where: short stacking energy: -258.297 Base-Backbone interact. energy: -0.570 local terms energy: -273.970758 where: bonds (distance) C4'-P energy: -53.202 bonds (distance) P-C4' energy: -66.456 flat angles C4'-P-C4' energy: -67.849 flat angles P-C4'-P energy: -20.604 tors. eta vs tors. theta energy: -65.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -639.607787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.607787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.607787 (E_RNA) where: Base-Base interactions energy: -373.061 where: short stacking energy: -192.970 Base-Backbone interact. energy: -0.687 local terms energy: -265.859711 where: bonds (distance) C4'-P energy: -56.509 bonds (distance) P-C4' energy: -59.706 flat angles C4'-P-C4' energy: -72.707 flat angles P-C4'-P energy: -28.968 tors. eta vs tors. theta energy: -47.970 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: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -558.928590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.928590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.928590 (E_RNA) where: Base-Base interactions energy: -333.671 where: short stacking energy: -177.618 Base-Backbone interact. energy: -1.189 local terms energy: -224.069218 where: bonds (distance) C4'-P energy: -50.005 bonds (distance) P-C4' energy: -62.565 flat angles C4'-P-C4' energy: -59.458 flat angles P-C4'-P energy: -28.464 tors. eta vs tors. theta energy: -23.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -419.769386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.769386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.769386 (E_RNA) where: Base-Base interactions energy: -199.235 where: short stacking energy: -124.656 Base-Backbone interact. energy: -0.236 local terms energy: -220.299286 where: bonds (distance) C4'-P energy: -63.412 bonds (distance) P-C4' energy: -59.069 flat angles C4'-P-C4' energy: -54.643 flat angles P-C4'-P energy: -27.573 tors. eta vs tors. theta energy: -15.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -407.868238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.868238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.868238 (E_RNA) where: Base-Base interactions energy: -206.502 where: short stacking energy: -108.181 Base-Backbone interact. energy: -2.207 local terms energy: -199.159659 where: bonds (distance) C4'-P energy: -52.005 bonds (distance) P-C4' energy: -65.220 flat angles C4'-P-C4' energy: -39.548 flat angles P-C4'-P energy: -29.721 tors. eta vs tors. theta energy: -12.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1183.824772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.824772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.824772 (E_RNA) where: Base-Base interactions energy: -805.633 where: short stacking energy: -378.618 Base-Backbone interact. energy: -0.171 local terms energy: -378.020364 where: bonds (distance) C4'-P energy: -66.145 bonds (distance) P-C4' energy: -71.191 flat angles C4'-P-C4' energy: -75.004 flat angles P-C4'-P energy: -50.662 tors. eta vs tors. theta energy: -115.019 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: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1105.598421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.598421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.598421 (E_RNA) where: Base-Base interactions energy: -737.452 where: short stacking energy: -343.853 Base-Backbone interact. energy: -1.354 local terms energy: -366.791932 where: bonds (distance) C4'-P energy: -71.863 bonds (distance) P-C4' energy: -68.153 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -50.857 tors. eta vs tors. theta energy: -98.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1015.014595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.014595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.014595 (E_RNA) where: Base-Base interactions energy: -654.347 where: short stacking energy: -326.712 Base-Backbone interact. energy: -1.633 local terms energy: -359.034713 where: bonds (distance) C4'-P energy: -64.311 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -73.685 flat angles P-C4'-P energy: -53.090 tors. eta vs tors. theta energy: -103.996 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: 4 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -982.618371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.618371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.618371 (E_RNA) where: Base-Base interactions energy: -622.201 where: short stacking energy: -286.309 Base-Backbone interact. energy: -0.915 local terms energy: -359.503344 where: bonds (distance) C4'-P energy: -76.364 bonds (distance) P-C4' energy: -73.506 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -57.304 tors. eta vs tors. theta energy: -80.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -882.842041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.842041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.842041 (E_RNA) where: Base-Base interactions energy: -581.550 where: short stacking energy: -258.125 Base-Backbone interact. energy: -2.649 local terms energy: -298.642549 where: bonds (distance) C4'-P energy: -57.389 bonds (distance) P-C4' energy: -68.840 flat angles C4'-P-C4' energy: -55.211 flat angles P-C4'-P energy: -39.319 tors. eta vs tors. theta energy: -77.883 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: 6, replica: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -769.856109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.856109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.856109 (E_RNA) where: Base-Base interactions energy: -496.221 where: short stacking energy: -238.965 Base-Backbone interact. energy: -0.156 local terms energy: -273.479870 where: bonds (distance) C4'-P energy: -51.454 bonds (distance) P-C4' energy: -62.240 flat angles C4'-P-C4' energy: -65.823 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: -55.269 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: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -651.671394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.671394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.671394 (E_RNA) where: Base-Base interactions energy: -393.978 where: short stacking energy: -209.937 Base-Backbone interact. energy: 2.652 local terms energy: -260.345480 where: bonds (distance) C4'-P energy: -56.581 bonds (distance) P-C4' energy: -56.740 flat angles C4'-P-C4' energy: -59.448 flat angles P-C4'-P energy: -46.352 tors. eta vs tors. theta energy: -41.225 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: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -580.577640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.577640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.577640 (E_RNA) where: Base-Base interactions energy: -336.983 where: short stacking energy: -177.835 Base-Backbone interact. energy: -0.194 local terms energy: -243.399797 where: bonds (distance) C4'-P energy: -62.136 bonds (distance) P-C4' energy: -65.909 flat angles C4'-P-C4' energy: -48.856 flat angles P-C4'-P energy: -31.295 tors. eta vs tors. theta energy: -35.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -472.524429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.524429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.524429 (E_RNA) where: Base-Base interactions energy: -258.659 where: short stacking energy: -137.174 Base-Backbone interact. energy: -0.520 local terms energy: -213.345660 where: bonds (distance) C4'-P energy: -61.930 bonds (distance) P-C4' energy: -63.263 flat angles C4'-P-C4' energy: -49.879 flat angles P-C4'-P energy: -31.361 tors. eta vs tors. theta energy: -6.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -441.981230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.981230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.981230 (E_RNA) where: Base-Base interactions energy: -248.881 where: short stacking energy: -132.591 Base-Backbone interact. energy: 2.270 local terms energy: -195.370259 where: bonds (distance) C4'-P energy: -58.185 bonds (distance) P-C4' energy: -57.207 flat angles C4'-P-C4' energy: -48.029 flat angles P-C4'-P energy: -28.368 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1190.890870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.890870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.890870 (E_RNA) where: Base-Base interactions energy: -802.712 where: short stacking energy: -379.347 Base-Backbone interact. energy: -1.729 local terms energy: -386.449603 where: bonds (distance) C4'-P energy: -61.092 bonds (distance) P-C4' energy: -75.343 flat angles C4'-P-C4' energy: -81.244 flat angles P-C4'-P energy: -54.011 tors. eta vs tors. theta energy: -114.760 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: 348 Temperature: 0.950000 Total energy: -1102.084635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.084635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.084635 (E_RNA) where: Base-Base interactions energy: -754.281 where: short stacking energy: -337.588 Base-Backbone interact. energy: 0.135 local terms energy: -347.937747 where: bonds (distance) C4'-P energy: -59.549 bonds (distance) P-C4' energy: -64.119 flat angles C4'-P-C4' energy: -80.365 flat angles P-C4'-P energy: -50.689 tors. eta vs tors. theta energy: -93.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1034.289275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.289275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.289275 (E_RNA) where: Base-Base interactions energy: -678.367 where: short stacking energy: -327.785 Base-Backbone interact. energy: -1.579 local terms energy: -354.343644 where: bonds (distance) C4'-P energy: -62.654 bonds (distance) P-C4' energy: -66.660 flat angles C4'-P-C4' energy: -73.526 flat angles P-C4'-P energy: -54.785 tors. eta vs tors. theta energy: -96.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1001.466627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.466627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.466627 (E_RNA) where: Base-Base interactions energy: -657.395 where: short stacking energy: -308.446 Base-Backbone interact. energy: -2.754 local terms energy: -341.316845 where: bonds (distance) C4'-P energy: -62.649 bonds (distance) P-C4' energy: -66.031 flat angles C4'-P-C4' energy: -76.071 flat angles P-C4'-P energy: -52.510 tors. eta vs tors. theta energy: -84.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -921.295934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.295934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.295934 (E_RNA) where: Base-Base interactions energy: -617.017 where: short stacking energy: -308.402 Base-Backbone interact. energy: -0.791 local terms energy: -303.488370 where: bonds (distance) C4'-P energy: -60.778 bonds (distance) P-C4' energy: -57.409 flat angles C4'-P-C4' energy: -77.296 flat angles P-C4'-P energy: -29.931 tors. eta vs tors. theta energy: -78.074 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: 6, replica: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -782.373060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.373060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.373060 (E_RNA) where: Base-Base interactions energy: -507.647 where: short stacking energy: -222.258 Base-Backbone interact. energy: -0.312 local terms energy: -274.414146 where: bonds (distance) C4'-P energy: -59.197 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -64.403 flat angles P-C4'-P energy: -29.040 tors. eta vs tors. theta energy: -60.719 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: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -687.519086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.519086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.519086 (E_RNA) where: Base-Base interactions energy: -396.416 where: short stacking energy: -199.747 Base-Backbone interact. energy: -1.219 local terms energy: -289.884048 where: bonds (distance) C4'-P energy: -59.331 bonds (distance) P-C4' energy: -67.549 flat angles C4'-P-C4' energy: -63.517 flat angles P-C4'-P energy: -42.932 tors. eta vs tors. theta energy: -56.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -565.772507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.772507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.772507 (E_RNA) where: Base-Base interactions energy: -334.259 where: short stacking energy: -168.466 Base-Backbone interact. energy: -1.334 local terms energy: -230.179704 where: bonds (distance) C4'-P energy: -64.108 bonds (distance) P-C4' energy: -49.198 flat angles C4'-P-C4' energy: -63.174 flat angles P-C4'-P energy: -32.601 tors. eta vs tors. theta energy: -21.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -429.002266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.002266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.002266 (E_RNA) where: Base-Base interactions energy: -219.392 where: short stacking energy: -114.131 Base-Backbone interact. energy: -0.485 local terms energy: -209.125256 where: bonds (distance) C4'-P energy: -48.734 bonds (distance) P-C4' energy: -64.536 flat angles C4'-P-C4' energy: -55.193 flat angles P-C4'-P energy: -30.404 tors. eta vs tors. theta energy: -10.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -471.821420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.821420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.821420 (E_RNA) where: Base-Base interactions energy: -288.985 where: short stacking energy: -152.845 Base-Backbone interact. energy: -0.406 local terms energy: -182.431320 where: bonds (distance) C4'-P energy: -46.933 bonds (distance) P-C4' energy: -52.750 flat angles C4'-P-C4' energy: -50.219 flat angles P-C4'-P energy: -17.255 tors. eta vs tors. theta energy: -15.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1172.070263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.070263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.070263 (E_RNA) where: Base-Base interactions energy: -786.838 where: short stacking energy: -381.872 Base-Backbone interact. energy: -0.354 local terms energy: -384.878075 where: bonds (distance) C4'-P energy: -70.817 bonds (distance) P-C4' energy: -72.408 flat angles C4'-P-C4' energy: -75.378 flat angles P-C4'-P energy: -50.185 tors. eta vs tors. theta energy: -116.090 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: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1102.860327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.860327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.860327 (E_RNA) where: Base-Base interactions energy: -735.261 where: short stacking energy: -339.080 Base-Backbone interact. energy: -0.541 local terms energy: -367.058127 where: bonds (distance) C4'-P energy: -66.407 bonds (distance) P-C4' energy: -73.281 flat angles C4'-P-C4' energy: -78.253 flat angles P-C4'-P energy: -55.734 tors. eta vs tors. theta energy: -93.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1009.787651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.787651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.787651 (E_RNA) where: Base-Base interactions energy: -677.165 where: short stacking energy: -302.938 Base-Backbone interact. energy: 1.497 local terms energy: -334.118975 where: bonds (distance) C4'-P energy: -72.385 bonds (distance) P-C4' energy: -65.139 flat angles C4'-P-C4' energy: -65.742 flat angles P-C4'-P energy: -46.893 tors. eta vs tors. theta energy: -83.960 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: 4, replica: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -968.544734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.544734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.544734 (E_RNA) where: Base-Base interactions energy: -654.291 where: short stacking energy: -302.302 Base-Backbone interact. energy: -1.266 local terms energy: -312.987240 where: bonds (distance) C4'-P energy: -55.651 bonds (distance) P-C4' energy: -66.650 flat angles C4'-P-C4' energy: -65.756 flat angles P-C4'-P energy: -41.335 tors. eta vs tors. theta energy: -83.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -920.562292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.562292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.562292 (E_RNA) where: Base-Base interactions energy: -608.049 where: short stacking energy: -285.473 Base-Backbone interact. energy: -1.277 local terms energy: -311.235435 where: bonds (distance) C4'-P energy: -59.455 bonds (distance) P-C4' energy: -52.040 flat angles C4'-P-C4' energy: -71.959 flat angles P-C4'-P energy: -43.364 tors. eta vs tors. theta energy: -84.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -789.431297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.431297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.431297 (E_RNA) where: Base-Base interactions energy: -498.880 where: short stacking energy: -227.405 Base-Backbone interact. energy: 1.467 local terms energy: -292.018640 where: bonds (distance) C4'-P energy: -69.784 bonds (distance) P-C4' energy: -66.389 flat angles C4'-P-C4' energy: -64.846 flat angles P-C4'-P energy: -33.335 tors. eta vs tors. theta energy: -57.665 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: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -676.603512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.603512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.603512 (E_RNA) where: Base-Base interactions energy: -423.123 where: short stacking energy: -210.724 Base-Backbone interact. energy: 0.787 local terms energy: -254.266834 where: bonds (distance) C4'-P energy: -49.280 bonds (distance) P-C4' energy: -65.942 flat angles C4'-P-C4' energy: -64.748 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: -37.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -558.177331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.177331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.177331 (E_RNA) where: Base-Base interactions energy: -313.012 where: short stacking energy: -155.512 Base-Backbone interact. energy: -0.144 local terms energy: -245.021239 where: bonds (distance) C4'-P energy: -48.765 bonds (distance) P-C4' energy: -61.553 flat angles C4'-P-C4' energy: -68.256 flat angles P-C4'-P energy: -38.989 tors. eta vs tors. theta energy: -27.459 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: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -407.139374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.139374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.139374 (E_RNA) where: Base-Base interactions energy: -197.808 where: short stacking energy: -112.500 Base-Backbone interact. energy: -1.313 local terms energy: -208.018315 where: bonds (distance) C4'-P energy: -60.169 bonds (distance) P-C4' energy: -58.272 flat angles C4'-P-C4' energy: -54.238 flat angles P-C4'-P energy: -29.022 tors. eta vs tors. theta energy: -6.318 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: 349 Temperature: 1.350000 Total energy: -489.913871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.913871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.913871 (E_RNA) where: Base-Base interactions energy: -274.915 where: short stacking energy: -135.016 Base-Backbone interact. energy: 4.367 local terms energy: -219.365599 where: bonds (distance) C4'-P energy: -48.758 bonds (distance) P-C4' energy: -68.903 flat angles C4'-P-C4' energy: -52.221 flat angles P-C4'-P energy: -36.920 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: 350 Temperature: 0.900000 Total energy: -1104.780362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.780362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.780362 (E_RNA) where: Base-Base interactions energy: -750.972 where: short stacking energy: -343.875 Base-Backbone interact. energy: 2.061 local terms energy: -355.869440 where: bonds (distance) C4'-P energy: -72.661 bonds (distance) P-C4' energy: -63.810 flat angles C4'-P-C4' energy: -76.869 flat angles P-C4'-P energy: -57.176 tors. eta vs tors. theta energy: -85.353 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: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1163.485856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.485856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.485856 (E_RNA) where: Base-Base interactions energy: -789.976 where: short stacking energy: -361.266 Base-Backbone interact. energy: -0.131 local terms energy: -373.378588 where: bonds (distance) C4'-P energy: -59.431 bonds (distance) P-C4' energy: -74.741 flat angles C4'-P-C4' energy: -77.169 flat angles P-C4'-P energy: -51.284 tors. eta vs tors. theta energy: -110.754 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: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1028.724718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.724718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.724718 (E_RNA) where: Base-Base interactions energy: -671.485 where: short stacking energy: -315.554 Base-Backbone interact. energy: -1.669 local terms energy: -355.570239 where: bonds (distance) C4'-P energy: -64.865 bonds (distance) P-C4' energy: -71.294 flat angles C4'-P-C4' energy: -69.902 flat angles P-C4'-P energy: -57.595 tors. eta vs tors. theta energy: -91.914 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: 350 Temperature: 1.050000 Total energy: -1003.560329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.560329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.560329 (E_RNA) where: Base-Base interactions energy: -666.614 where: short stacking energy: -306.367 Base-Backbone interact. energy: -2.014 local terms energy: -334.932215 where: bonds (distance) C4'-P energy: -70.644 bonds (distance) P-C4' energy: -53.562 flat angles C4'-P-C4' energy: -76.202 flat angles P-C4'-P energy: -45.132 tors. eta vs tors. theta energy: -89.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -900.821646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.821646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.821646 (E_RNA) where: Base-Base interactions energy: -598.650 where: short stacking energy: -290.634 Base-Backbone interact. energy: -0.713 local terms energy: -301.458534 where: bonds (distance) C4'-P energy: -58.918 bonds (distance) P-C4' energy: -59.331 flat angles C4'-P-C4' energy: -64.013 flat angles P-C4'-P energy: -45.698 tors. eta vs tors. theta energy: -73.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -797.781116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.781116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.781116 (E_RNA) where: Base-Base interactions energy: -520.582 where: short stacking energy: -253.175 Base-Backbone interact. energy: -0.553 local terms energy: -276.646449 where: bonds (distance) C4'-P energy: -54.469 bonds (distance) P-C4' energy: -64.461 flat angles C4'-P-C4' energy: -58.616 flat angles P-C4'-P energy: -32.149 tors. eta vs tors. theta energy: -66.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -721.920858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.920858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.920858 (E_RNA) where: Base-Base interactions energy: -441.201 where: short stacking energy: -211.371 Base-Backbone interact. energy: -1.211 local terms energy: -279.508433 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -56.741 flat angles C4'-P-C4' energy: -60.366 flat angles P-C4'-P energy: -53.454 tors. eta vs tors. theta energy: -51.087 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: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -542.149552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.149552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.149552 (E_RNA) where: Base-Base interactions energy: -319.519 where: short stacking energy: -160.002 Base-Backbone interact. energy: -0.775 local terms energy: -221.855442 where: bonds (distance) C4'-P energy: -56.256 bonds (distance) P-C4' energy: -57.251 flat angles C4'-P-C4' energy: -46.883 flat angles P-C4'-P energy: -40.307 tors. eta vs tors. theta energy: -21.158 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: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -450.260688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.260688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.260688 (E_RNA) where: Base-Base interactions energy: -236.618 where: short stacking energy: -129.776 Base-Backbone interact. energy: 0.085 local terms energy: -213.728268 where: bonds (distance) C4'-P energy: -57.161 bonds (distance) P-C4' energy: -48.298 flat angles C4'-P-C4' energy: -57.888 flat angles P-C4'-P energy: -39.929 tors. eta vs tors. theta energy: -10.452 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: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -390.766185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.766185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.766185 (E_RNA) where: Base-Base interactions energy: -191.886 where: short stacking energy: -101.246 Base-Backbone interact. energy: -1.803 local terms energy: -197.076915 where: bonds (distance) C4'-P energy: -59.001 bonds (distance) P-C4' energy: -62.954 flat angles C4'-P-C4' energy: -53.039 flat angles P-C4'-P energy: -15.869 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1127.415726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.415726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.415726 (E_RNA) where: Base-Base interactions energy: -766.496 where: short stacking energy: -356.393 Base-Backbone interact. energy: 6.051 local terms energy: -366.970350 where: bonds (distance) C4'-P energy: -64.885 bonds (distance) P-C4' energy: -74.236 flat angles C4'-P-C4' energy: -83.611 flat angles P-C4'-P energy: -46.340 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: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1150.210844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.210844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.210844 (E_RNA) where: Base-Base interactions energy: -764.243 where: short stacking energy: -350.822 Base-Backbone interact. energy: -0.037 local terms energy: -385.930540 where: bonds (distance) C4'-P energy: -65.412 bonds (distance) P-C4' energy: -68.626 flat angles C4'-P-C4' energy: -83.025 flat angles P-C4'-P energy: -60.608 tors. eta vs tors. theta energy: -108.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1032.442390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.442390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.442390 (E_RNA) where: Base-Base interactions energy: -685.503 where: short stacking energy: -339.293 Base-Backbone interact. energy: -1.904 local terms energy: -345.035847 where: bonds (distance) C4'-P energy: -65.149 bonds (distance) P-C4' energy: -70.416 flat angles C4'-P-C4' energy: -71.779 flat angles P-C4'-P energy: -36.025 tors. eta vs tors. theta energy: -101.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1005.938052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.938052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.938052 (E_RNA) where: Base-Base interactions energy: -661.426 where: short stacking energy: -296.363 Base-Backbone interact. energy: 1.718 local terms energy: -346.229625 where: bonds (distance) C4'-P energy: -62.458 bonds (distance) P-C4' energy: -74.780 flat angles C4'-P-C4' energy: -70.863 flat angles P-C4'-P energy: -45.185 tors. eta vs tors. theta energy: -92.944 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: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -900.281084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.281084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.281084 (E_RNA) where: Base-Base interactions energy: -582.886 where: short stacking energy: -274.100 Base-Backbone interact. energy: 0.594 local terms energy: -317.988643 where: bonds (distance) C4'-P energy: -61.908 bonds (distance) P-C4' energy: -73.246 flat angles C4'-P-C4' energy: -64.036 flat angles P-C4'-P energy: -50.776 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: 3 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -816.256351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.256351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.256351 (E_RNA) where: Base-Base interactions energy: -509.282 where: short stacking energy: -246.172 Base-Backbone interact. energy: -1.182 local terms energy: -305.792430 where: bonds (distance) C4'-P energy: -58.342 bonds (distance) P-C4' energy: -65.310 flat angles C4'-P-C4' energy: -68.159 flat angles P-C4'-P energy: -47.407 tors. eta vs tors. theta energy: -66.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -682.227433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.227433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.227433 (E_RNA) where: Base-Base interactions energy: -414.317 where: short stacking energy: -213.857 Base-Backbone interact. energy: 1.571 local terms energy: -269.482149 where: bonds (distance) C4'-P energy: -51.889 bonds (distance) P-C4' energy: -61.572 flat angles C4'-P-C4' energy: -68.621 flat angles P-C4'-P energy: -45.839 tors. eta vs tors. theta energy: -41.560 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: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -540.069905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.069905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.069905 (E_RNA) where: Base-Base interactions energy: -308.246 where: short stacking energy: -152.211 Base-Backbone interact. energy: -0.248 local terms energy: -231.576376 where: bonds (distance) C4'-P energy: -43.275 bonds (distance) P-C4' energy: -50.077 flat angles C4'-P-C4' energy: -60.978 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -31.775 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: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -455.527825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.527825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.527825 (E_RNA) where: Base-Base interactions energy: -234.437 where: short stacking energy: -130.851 Base-Backbone interact. energy: -0.783 local terms energy: -220.307621 where: bonds (distance) C4'-P energy: -53.701 bonds (distance) P-C4' energy: -61.778 flat angles C4'-P-C4' energy: -54.144 flat angles P-C4'-P energy: -28.145 tors. eta vs tors. theta energy: -22.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -419.179331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.179331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.179331 (E_RNA) where: Base-Base interactions energy: -212.332 where: short stacking energy: -115.735 Base-Backbone interact. energy: 0.069 local terms energy: -206.916185 where: bonds (distance) C4'-P energy: -67.387 bonds (distance) P-C4' energy: -58.142 flat angles C4'-P-C4' energy: -52.683 flat angles P-C4'-P energy: -24.938 tors. eta vs tors. theta energy: -3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1187.795443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.795443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.795443 (E_RNA) where: Base-Base interactions energy: -802.592 where: short stacking energy: -362.222 Base-Backbone interact. energy: -1.330 local terms energy: -383.873448 where: bonds (distance) C4'-P energy: -67.264 bonds (distance) P-C4' energy: -77.784 flat angles C4'-P-C4' energy: -81.285 flat angles P-C4'-P energy: -42.415 tors. eta vs tors. theta energy: -115.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1113.120724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.120724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.120724 (E_RNA) where: Base-Base interactions energy: -748.623 where: short stacking energy: -348.374 Base-Backbone interact. energy: -0.228 local terms energy: -364.269945 where: bonds (distance) C4'-P energy: -68.906 bonds (distance) P-C4' energy: -72.563 flat angles C4'-P-C4' energy: -73.117 flat angles P-C4'-P energy: -50.892 tors. eta vs tors. theta energy: -98.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1030.066452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.066452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.066452 (E_RNA) where: Base-Base interactions energy: -675.280 where: short stacking energy: -335.444 Base-Backbone interact. energy: -2.252 local terms energy: -352.534923 where: bonds (distance) C4'-P energy: -63.567 bonds (distance) P-C4' energy: -64.635 flat angles C4'-P-C4' energy: -77.819 flat angles P-C4'-P energy: -47.771 tors. eta vs tors. theta energy: -98.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1014.261479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.261479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.261479 (E_RNA) where: Base-Base interactions energy: -673.701 where: short stacking energy: -293.849 Base-Backbone interact. energy: 1.712 local terms energy: -342.273300 where: bonds (distance) C4'-P energy: -72.993 bonds (distance) P-C4' energy: -62.250 flat angles C4'-P-C4' energy: -68.670 flat angles P-C4'-P energy: -53.079 tors. eta vs tors. theta energy: -85.281 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: 352 Temperature: 1.100000 Total energy: -891.359298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.359298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.359298 (E_RNA) where: Base-Base interactions energy: -585.656 where: short stacking energy: -289.540 Base-Backbone interact. energy: 1.031 local terms energy: -306.734143 where: bonds (distance) C4'-P energy: -57.355 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -70.470 flat angles P-C4'-P energy: -39.109 tors. eta vs tors. theta energy: -76.803 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: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -844.427552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.427552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.427552 (E_RNA) where: Base-Base interactions energy: -546.671 where: short stacking energy: -246.880 Base-Backbone interact. energy: 2.361 local terms energy: -300.117188 where: bonds (distance) C4'-P energy: -48.982 bonds (distance) P-C4' energy: -65.871 flat angles C4'-P-C4' energy: -71.698 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: -72.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -697.550958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.550958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.550958 (E_RNA) where: Base-Base interactions energy: -430.361 where: short stacking energy: -224.265 Base-Backbone interact. energy: -0.582 local terms energy: -266.608065 where: bonds (distance) C4'-P energy: -51.146 bonds (distance) P-C4' energy: -53.819 flat angles C4'-P-C4' energy: -58.500 flat angles P-C4'-P energy: -37.178 tors. eta vs tors. theta energy: -65.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -526.417556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.417556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.417556 (E_RNA) where: Base-Base interactions energy: -291.019 where: short stacking energy: -162.329 Base-Backbone interact. energy: -0.985 local terms energy: -234.413483 where: bonds (distance) C4'-P energy: -58.244 bonds (distance) P-C4' energy: -59.875 flat angles C4'-P-C4' energy: -54.443 flat angles P-C4'-P energy: -36.794 tors. eta vs tors. theta energy: -25.057 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: 352 Temperature: 1.300000 Total energy: -439.803624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.803624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.803624 (E_RNA) where: Base-Base interactions energy: -238.255 where: short stacking energy: -129.362 Base-Backbone interact. energy: 1.673 local terms energy: -203.221126 where: bonds (distance) C4'-P energy: -64.803 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -40.077 flat angles P-C4'-P energy: -39.550 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -492.304422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.304422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.304422 (E_RNA) where: Base-Base interactions energy: -292.377 where: short stacking energy: -156.965 Base-Backbone interact. energy: -1.054 local terms energy: -198.873593 where: bonds (distance) C4'-P energy: -54.869 bonds (distance) P-C4' energy: -50.341 flat angles C4'-P-C4' energy: -39.071 flat angles P-C4'-P energy: -35.669 tors. eta vs tors. theta energy: -18.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1182.157270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.157270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.157270 (E_RNA) where: Base-Base interactions energy: -783.636 where: short stacking energy: -372.593 Base-Backbone interact. energy: -0.675 local terms energy: -397.845982 where: bonds (distance) C4'-P energy: -68.627 bonds (distance) P-C4' energy: -72.570 flat angles C4'-P-C4' energy: -77.233 flat angles P-C4'-P energy: -66.267 tors. eta vs tors. theta energy: -113.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1099.285976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.285976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.285976 (E_RNA) where: Base-Base interactions energy: -729.752 where: short stacking energy: -329.681 Base-Backbone interact. energy: 1.656 local terms energy: -371.189908 where: bonds (distance) C4'-P energy: -66.509 bonds (distance) P-C4' energy: -71.682 flat angles C4'-P-C4' energy: -75.396 flat angles P-C4'-P energy: -59.456 tors. eta vs tors. theta energy: -98.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1027.028546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.028546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.028546 (E_RNA) where: Base-Base interactions energy: -664.991 where: short stacking energy: -330.608 Base-Backbone interact. energy: -0.782 local terms energy: -361.254827 where: bonds (distance) C4'-P energy: -55.333 bonds (distance) P-C4' energy: -77.300 flat angles C4'-P-C4' energy: -82.993 flat angles P-C4'-P energy: -41.411 tors. eta vs tors. theta energy: -104.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -991.322005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.322005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.322005 (E_RNA) where: Base-Base interactions energy: -663.086 where: short stacking energy: -294.950 Base-Backbone interact. energy: -1.450 local terms energy: -326.786085 where: bonds (distance) C4'-P energy: -59.434 bonds (distance) P-C4' energy: -74.220 flat angles C4'-P-C4' energy: -73.712 flat angles P-C4'-P energy: -46.944 tors. eta vs tors. theta energy: -72.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -890.891442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.891442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.891442 (E_RNA) where: Base-Base interactions energy: -591.108 where: short stacking energy: -284.806 Base-Backbone interact. energy: -0.467 local terms energy: -299.316662 where: bonds (distance) C4'-P energy: -52.003 bonds (distance) P-C4' energy: -55.158 flat angles C4'-P-C4' energy: -68.134 flat angles P-C4'-P energy: -42.459 tors. eta vs tors. theta energy: -81.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -848.688529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.688529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.688529 (E_RNA) where: Base-Base interactions energy: -549.063 where: short stacking energy: -253.776 Base-Backbone interact. energy: -1.236 local terms energy: -298.389212 where: bonds (distance) C4'-P energy: -60.014 bonds (distance) P-C4' energy: -60.592 flat angles C4'-P-C4' energy: -69.932 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: -63.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -733.785714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.785714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.785714 (E_RNA) where: Base-Base interactions energy: -464.218 where: short stacking energy: -238.086 Base-Backbone interact. energy: -0.184 local terms energy: -269.383745 where: bonds (distance) C4'-P energy: -65.430 bonds (distance) P-C4' energy: -51.342 flat angles C4'-P-C4' energy: -61.187 flat angles P-C4'-P energy: -42.187 tors. eta vs tors. theta energy: -49.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -570.614486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.614486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.614486 (E_RNA) where: Base-Base interactions energy: -336.434 where: short stacking energy: -175.954 Base-Backbone interact. energy: -1.834 local terms energy: -232.346578 where: bonds (distance) C4'-P energy: -56.676 bonds (distance) P-C4' energy: -55.467 flat angles C4'-P-C4' energy: -53.466 flat angles P-C4'-P energy: -27.000 tors. eta vs tors. theta energy: -39.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -471.191986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.191986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.191986 (E_RNA) where: Base-Base interactions energy: -258.231 where: short stacking energy: -136.213 Base-Backbone interact. energy: 0.635 local terms energy: -213.595251 where: bonds (distance) C4'-P energy: -45.064 bonds (distance) P-C4' energy: -56.867 flat angles C4'-P-C4' energy: -58.461 flat angles P-C4'-P energy: -32.350 tors. eta vs tors. theta energy: -20.853 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: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -544.424215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.424215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.424215 (E_RNA) where: Base-Base interactions energy: -326.925 where: short stacking energy: -165.047 Base-Backbone interact. energy: -2.506 local terms energy: -214.993276 where: bonds (distance) C4'-P energy: -53.449 bonds (distance) P-C4' energy: -54.574 flat angles C4'-P-C4' energy: -55.843 flat angles P-C4'-P energy: -28.228 tors. eta vs tors. theta energy: -22.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1186.704718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.704718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.704718 (E_RNA) where: Base-Base interactions energy: -796.867 where: short stacking energy: -356.864 Base-Backbone interact. energy: -0.973 local terms energy: -388.865357 where: bonds (distance) C4'-P energy: -67.719 bonds (distance) P-C4' energy: -74.095 flat angles C4'-P-C4' energy: -73.843 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -115.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1092.903336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.903336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.903336 (E_RNA) where: Base-Base interactions energy: -740.569 where: short stacking energy: -339.220 Base-Backbone interact. energy: -0.502 local terms energy: -351.832952 where: bonds (distance) C4'-P energy: -66.215 bonds (distance) P-C4' energy: -61.376 flat angles C4'-P-C4' energy: -70.134 flat angles P-C4'-P energy: -52.896 tors. eta vs tors. theta energy: -101.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1024.198472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.198472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.198472 (E_RNA) where: Base-Base interactions energy: -668.807 where: short stacking energy: -339.347 Base-Backbone interact. energy: 2.809 local terms energy: -358.200258 where: bonds (distance) C4'-P energy: -59.615 bonds (distance) P-C4' energy: -57.986 flat angles C4'-P-C4' energy: -75.535 flat angles P-C4'-P energy: -61.975 tors. eta vs tors. theta energy: -103.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -989.992155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.992155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.992155 (E_RNA) where: Base-Base interactions energy: -673.314 where: short stacking energy: -304.626 Base-Backbone interact. energy: -1.258 local terms energy: -315.419649 where: bonds (distance) C4'-P energy: -64.507 bonds (distance) P-C4' energy: -60.808 flat angles C4'-P-C4' energy: -67.230 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -72.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -906.506013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.506013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.506013 (E_RNA) where: Base-Base interactions energy: -582.328 where: short stacking energy: -271.087 Base-Backbone interact. energy: -0.673 local terms energy: -323.505058 where: bonds (distance) C4'-P energy: -65.634 bonds (distance) P-C4' energy: -71.034 flat angles C4'-P-C4' energy: -68.791 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -79.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -838.831870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.831870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.831870 (E_RNA) where: Base-Base interactions energy: -559.721 where: short stacking energy: -276.144 Base-Backbone interact. energy: -0.013 local terms energy: -279.097199 where: bonds (distance) C4'-P energy: -51.254 bonds (distance) P-C4' energy: -52.201 flat angles C4'-P-C4' energy: -68.538 flat angles P-C4'-P energy: -25.689 tors. eta vs tors. theta energy: -81.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -643.966753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.966753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.966753 (E_RNA) where: Base-Base interactions energy: -390.511 where: short stacking energy: -210.205 Base-Backbone interact. energy: 2.682 local terms energy: -256.137491 where: bonds (distance) C4'-P energy: -60.590 bonds (distance) P-C4' energy: -60.389 flat angles C4'-P-C4' energy: -59.816 flat angles P-C4'-P energy: -31.693 tors. eta vs tors. theta energy: -43.650 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: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -557.507203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.507203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.507203 (E_RNA) where: Base-Base interactions energy: -309.225 where: short stacking energy: -165.991 Base-Backbone interact. energy: 1.646 local terms energy: -249.928422 where: bonds (distance) C4'-P energy: -67.296 bonds (distance) P-C4' energy: -74.181 flat angles C4'-P-C4' energy: -59.331 flat angles P-C4'-P energy: -27.867 tors. eta vs tors. theta energy: -21.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -472.943072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.943072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.943072 (E_RNA) where: Base-Base interactions energy: -245.929 where: short stacking energy: -143.200 Base-Backbone interact. energy: 3.017 local terms energy: -230.031412 where: bonds (distance) C4'-P energy: -56.424 bonds (distance) P-C4' energy: -67.019 flat angles C4'-P-C4' energy: -43.058 flat angles P-C4'-P energy: -45.019 tors. eta vs tors. theta energy: -18.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -422.220112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.220112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.220112 (E_RNA) where: Base-Base interactions energy: -214.720 where: short stacking energy: -98.476 Base-Backbone interact. energy: 2.601 local terms energy: -210.101494 where: bonds (distance) C4'-P energy: -55.122 bonds (distance) P-C4' energy: -55.722 flat angles C4'-P-C4' energy: -61.642 flat angles P-C4'-P energy: -39.062 tors. eta vs tors. theta energy: 1.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1175.951788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.951788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.951788 (E_RNA) where: Base-Base interactions energy: -785.150 where: short stacking energy: -366.830 Base-Backbone interact. energy: 0.345 local terms energy: -391.146273 where: bonds (distance) C4'-P energy: -75.981 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -78.047 flat angles P-C4'-P energy: -54.331 tors. eta vs tors. theta energy: -112.498 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: 355 Temperature: 0.950000 Total energy: -1090.450784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.450784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.450784 (E_RNA) where: Base-Base interactions energy: -736.315 where: short stacking energy: -338.446 Base-Backbone interact. energy: -0.953 local terms energy: -353.182876 where: bonds (distance) C4'-P energy: -73.921 bonds (distance) P-C4' energy: -61.135 flat angles C4'-P-C4' energy: -76.033 flat angles P-C4'-P energy: -42.337 tors. eta vs tors. theta energy: -99.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1053.266303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.266303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.266303 (E_RNA) where: Base-Base interactions energy: -688.667 where: short stacking energy: -356.616 Base-Backbone interact. energy: -1.402 local terms energy: -363.197115 where: bonds (distance) C4'-P energy: -65.078 bonds (distance) P-C4' energy: -63.019 flat angles C4'-P-C4' energy: -74.530 flat angles P-C4'-P energy: -51.701 tors. eta vs tors. theta energy: -108.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -971.202703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.202703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.202703 (E_RNA) where: Base-Base interactions energy: -635.780 where: short stacking energy: -300.599 Base-Backbone interact. energy: 1.402 local terms energy: -336.824538 where: bonds (distance) C4'-P energy: -50.076 bonds (distance) P-C4' energy: -64.060 flat angles C4'-P-C4' energy: -71.559 flat angles P-C4'-P energy: -59.491 tors. eta vs tors. theta energy: -91.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -887.699067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.699067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.699067 (E_RNA) where: Base-Base interactions energy: -589.614 where: short stacking energy: -299.588 Base-Backbone interact. energy: 0.057 local terms energy: -298.141375 where: bonds (distance) C4'-P energy: -44.949 bonds (distance) P-C4' energy: -69.833 flat angles C4'-P-C4' energy: -63.143 flat angles P-C4'-P energy: -37.088 tors. eta vs tors. theta energy: -83.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -872.967884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.967884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.967884 (E_RNA) where: Base-Base interactions energy: -562.674 where: short stacking energy: -265.690 Base-Backbone interact. energy: -0.321 local terms energy: -309.972516 where: bonds (distance) C4'-P energy: -55.341 bonds (distance) P-C4' energy: -57.392 flat angles C4'-P-C4' energy: -76.686 flat angles P-C4'-P energy: -45.563 tors. eta vs tors. theta energy: -74.990 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: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -664.923604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.923604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.923604 (E_RNA) where: Base-Base interactions energy: -404.058 where: short stacking energy: -208.381 Base-Backbone interact. energy: 0.525 local terms energy: -261.390542 where: bonds (distance) C4'-P energy: -59.043 bonds (distance) P-C4' energy: -67.464 flat angles C4'-P-C4' energy: -62.324 flat angles P-C4'-P energy: -34.212 tors. eta vs tors. theta energy: -38.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -538.699989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.699989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.699989 (E_RNA) where: Base-Base interactions energy: -276.883 where: short stacking energy: -143.079 Base-Backbone interact. energy: -0.683 local terms energy: -261.134764 where: bonds (distance) C4'-P energy: -54.541 bonds (distance) P-C4' energy: -76.340 flat angles C4'-P-C4' energy: -64.625 flat angles P-C4'-P energy: -33.806 tors. eta vs tors. theta energy: -31.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -465.032905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.032905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.032905 (E_RNA) where: Base-Base interactions energy: -242.027 where: short stacking energy: -130.711 Base-Backbone interact. energy: -0.412 local terms energy: -222.593107 where: bonds (distance) C4'-P energy: -63.287 bonds (distance) P-C4' energy: -61.395 flat angles C4'-P-C4' energy: -49.678 flat angles P-C4'-P energy: -25.378 tors. eta vs tors. theta energy: -22.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -404.125487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.125487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.125487 (E_RNA) where: Base-Base interactions energy: -214.445 where: short stacking energy: -139.306 Base-Backbone interact. energy: 1.677 local terms energy: -191.358059 where: bonds (distance) C4'-P energy: -55.413 bonds (distance) P-C4' energy: -65.722 flat angles C4'-P-C4' energy: -50.340 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -9.455 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: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1177.043783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.043783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.043783 (E_RNA) where: Base-Base interactions energy: -789.221 where: short stacking energy: -371.716 Base-Backbone interact. energy: -0.998 local terms energy: -386.824657 where: bonds (distance) C4'-P energy: -72.241 bonds (distance) P-C4' energy: -71.007 flat angles C4'-P-C4' energy: -78.630 flat angles P-C4'-P energy: -48.774 tors. eta vs tors. theta energy: -116.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1097.870536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.870536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.870536 (E_RNA) where: Base-Base interactions energy: -738.308 where: short stacking energy: -346.466 Base-Backbone interact. energy: -0.162 local terms energy: -359.400336 where: bonds (distance) C4'-P energy: -65.173 bonds (distance) P-C4' energy: -67.273 flat angles C4'-P-C4' energy: -72.321 flat angles P-C4'-P energy: -52.926 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: 3, replica: 6 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1025.010082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.010082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.010082 (E_RNA) where: Base-Base interactions energy: -686.829 where: short stacking energy: -345.945 Base-Backbone interact. energy: -0.109 local terms energy: -338.071933 where: bonds (distance) C4'-P energy: -54.744 bonds (distance) P-C4' energy: -55.118 flat angles C4'-P-C4' energy: -77.134 flat angles P-C4'-P energy: -44.026 tors. eta vs tors. theta energy: -107.050 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: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1026.268500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.268500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.268500 (E_RNA) where: Base-Base interactions energy: -678.570 where: short stacking energy: -314.551 Base-Backbone interact. energy: -1.972 local terms energy: -345.726636 where: bonds (distance) C4'-P energy: -62.365 bonds (distance) P-C4' energy: -62.026 flat angles C4'-P-C4' energy: -76.718 flat angles P-C4'-P energy: -55.883 tors. eta vs tors. theta energy: -88.734 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: 356 Temperature: 1.100000 Total energy: -862.374606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.374606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.374606 (E_RNA) where: Base-Base interactions energy: -552.077 where: short stacking energy: -252.396 Base-Backbone interact. energy: -0.180 local terms energy: -310.117761 where: bonds (distance) C4'-P energy: -66.768 bonds (distance) P-C4' energy: -64.309 flat angles C4'-P-C4' energy: -65.377 flat angles P-C4'-P energy: -33.574 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: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -824.698713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.698713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.698713 (E_RNA) where: Base-Base interactions energy: -542.843 where: short stacking energy: -258.993 Base-Backbone interact. energy: -0.759 local terms energy: -281.096737 where: bonds (distance) C4'-P energy: -58.364 bonds (distance) P-C4' energy: -68.742 flat angles C4'-P-C4' energy: -58.638 flat angles P-C4'-P energy: -35.584 tors. eta vs tors. theta energy: -59.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -632.965148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.965148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.965148 (E_RNA) where: Base-Base interactions energy: -373.115 where: short stacking energy: -194.138 Base-Backbone interact. energy: -0.995 local terms energy: -258.854768 where: bonds (distance) C4'-P energy: -53.792 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -55.092 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -46.780 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: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -564.274630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.274630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.274630 (E_RNA) where: Base-Base interactions energy: -333.718 where: short stacking energy: -168.240 Base-Backbone interact. energy: -1.230 local terms energy: -229.326912 where: bonds (distance) C4'-P energy: -60.432 bonds (distance) P-C4' energy: -51.481 flat angles C4'-P-C4' energy: -64.762 flat angles P-C4'-P energy: -27.336 tors. eta vs tors. theta energy: -25.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -458.091752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.091752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.091752 (E_RNA) where: Base-Base interactions energy: -245.659 where: short stacking energy: -125.168 Base-Backbone interact. energy: -0.237 local terms energy: -212.195417 where: bonds (distance) C4'-P energy: -61.898 bonds (distance) P-C4' energy: -59.542 flat angles C4'-P-C4' energy: -51.932 flat angles P-C4'-P energy: -18.556 tors. eta vs tors. theta energy: -20.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -382.384632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.384632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.384632 (E_RNA) where: Base-Base interactions energy: -176.231 where: short stacking energy: -99.208 Base-Backbone interact. energy: 4.066 local terms energy: -210.219547 where: bonds (distance) C4'-P energy: -61.626 bonds (distance) P-C4' energy: -68.505 flat angles C4'-P-C4' energy: -40.046 flat angles P-C4'-P energy: -32.515 tors. eta vs tors. theta energy: -7.527 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: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1181.479974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.479974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.479974 (E_RNA) where: Base-Base interactions energy: -804.913 where: short stacking energy: -368.884 Base-Backbone interact. energy: -0.934 local terms energy: -375.633647 where: bonds (distance) C4'-P energy: -63.565 bonds (distance) P-C4' energy: -73.578 flat angles C4'-P-C4' energy: -71.381 flat angles P-C4'-P energy: -50.898 tors. eta vs tors. theta energy: -116.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1099.113512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.113512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.113512 (E_RNA) where: Base-Base interactions energy: -747.293 where: short stacking energy: -347.788 Base-Backbone interact. energy: -0.429 local terms energy: -351.391548 where: bonds (distance) C4'-P energy: -71.006 bonds (distance) P-C4' energy: -72.601 flat angles C4'-P-C4' energy: -69.224 flat angles P-C4'-P energy: -47.579 tors. eta vs tors. theta energy: -90.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1032.208038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.208038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.208038 (E_RNA) where: Base-Base interactions energy: -668.949 where: short stacking energy: -330.916 Base-Backbone interact. energy: 1.966 local terms energy: -365.225232 where: bonds (distance) C4'-P energy: -66.497 bonds (distance) P-C4' energy: -74.171 flat angles C4'-P-C4' energy: -73.829 flat angles P-C4'-P energy: -53.896 tors. eta vs tors. theta energy: -96.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -979.138190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.138190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.138190 (E_RNA) where: Base-Base interactions energy: -666.950 where: short stacking energy: -303.256 Base-Backbone interact. energy: 1.532 local terms energy: -313.719869 where: bonds (distance) C4'-P energy: -59.050 bonds (distance) P-C4' energy: -60.252 flat angles C4'-P-C4' energy: -67.763 flat angles P-C4'-P energy: -45.966 tors. eta vs tors. theta energy: -80.688 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: 3 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -854.016311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.016311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.016311 (E_RNA) where: Base-Base interactions energy: -552.827 where: short stacking energy: -260.628 Base-Backbone interact. energy: -1.131 local terms energy: -300.058325 where: bonds (distance) C4'-P energy: -68.223 bonds (distance) P-C4' energy: -56.359 flat angles C4'-P-C4' energy: -58.034 flat angles P-C4'-P energy: -48.681 tors. eta vs tors. theta energy: -68.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -776.699200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.699200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.699200 (E_RNA) where: Base-Base interactions energy: -489.471 where: short stacking energy: -235.791 Base-Backbone interact. energy: -0.802 local terms energy: -286.426087 where: bonds (distance) C4'-P energy: -62.541 bonds (distance) P-C4' energy: -69.094 flat angles C4'-P-C4' energy: -62.148 flat angles P-C4'-P energy: -34.448 tors. eta vs tors. theta energy: -58.195 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: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -658.786669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.786669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.786669 (E_RNA) where: Base-Base interactions energy: -402.850 where: short stacking energy: -212.520 Base-Backbone interact. energy: 0.454 local terms energy: -256.390390 where: bonds (distance) C4'-P energy: -53.756 bonds (distance) P-C4' energy: -63.257 flat angles C4'-P-C4' energy: -64.484 flat angles P-C4'-P energy: -41.954 tors. eta vs tors. theta energy: -32.940 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: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -574.572300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.572300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.572300 (E_RNA) where: Base-Base interactions energy: -314.123 where: short stacking energy: -165.608 Base-Backbone interact. energy: 0.568 local terms energy: -261.017465 where: bonds (distance) C4'-P energy: -71.462 bonds (distance) P-C4' energy: -59.887 flat angles C4'-P-C4' energy: -54.937 flat angles P-C4'-P energy: -40.047 tors. eta vs tors. theta energy: -34.685 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: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -472.415961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.415961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.415961 (E_RNA) where: Base-Base interactions energy: -273.573 where: short stacking energy: -165.925 Base-Backbone interact. energy: 1.310 local terms energy: -200.152900 where: bonds (distance) C4'-P energy: -43.084 bonds (distance) P-C4' energy: -65.555 flat angles C4'-P-C4' energy: -51.146 flat angles P-C4'-P energy: -29.784 tors. eta vs tors. theta energy: -10.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -387.095633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.095633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.095633 (E_RNA) where: Base-Base interactions energy: -185.038 where: short stacking energy: -112.247 Base-Backbone interact. energy: -0.869 local terms energy: -201.188486 where: bonds (distance) C4'-P energy: -54.557 bonds (distance) P-C4' energy: -65.205 flat angles C4'-P-C4' energy: -41.178 flat angles P-C4'-P energy: -29.353 tors. eta vs tors. theta energy: -10.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1185.168703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.168703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.168703 (E_RNA) where: Base-Base interactions energy: -799.142 where: short stacking energy: -362.977 Base-Backbone interact. energy: 2.135 local terms energy: -388.161883 where: bonds (distance) C4'-P energy: -70.304 bonds (distance) P-C4' energy: -73.393 flat angles C4'-P-C4' energy: -80.774 flat angles P-C4'-P energy: -53.779 tors. eta vs tors. theta energy: -109.911 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: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1124.087045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.087045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.087045 (E_RNA) where: Base-Base interactions energy: -736.177 where: short stacking energy: -351.900 Base-Backbone interact. energy: -0.821 local terms energy: -387.088946 where: bonds (distance) C4'-P energy: -60.335 bonds (distance) P-C4' energy: -85.111 flat angles C4'-P-C4' energy: -83.100 flat angles P-C4'-P energy: -57.200 tors. eta vs tors. theta energy: -101.343 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: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1072.976694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.976694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.976694 (E_RNA) where: Base-Base interactions energy: -702.662 where: short stacking energy: -344.377 Base-Backbone interact. energy: -0.774 local terms energy: -369.541162 where: bonds (distance) C4'-P energy: -71.506 bonds (distance) P-C4' energy: -75.836 flat angles C4'-P-C4' energy: -66.156 flat angles P-C4'-P energy: -48.741 tors. eta vs tors. theta energy: -107.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -972.889920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.889920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.889920 (E_RNA) where: Base-Base interactions energy: -636.199 where: short stacking energy: -291.384 Base-Backbone interact. energy: -0.020 local terms energy: -336.670514 where: bonds (distance) C4'-P energy: -65.213 bonds (distance) P-C4' energy: -70.635 flat angles C4'-P-C4' energy: -67.725 flat angles P-C4'-P energy: -44.509 tors. eta vs tors. theta energy: -88.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -852.061333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.061333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.061333 (E_RNA) where: Base-Base interactions energy: -549.274 where: short stacking energy: -253.066 Base-Backbone interact. energy: 0.214 local terms energy: -303.001526 where: bonds (distance) C4'-P energy: -70.215 bonds (distance) P-C4' energy: -68.768 flat angles C4'-P-C4' energy: -68.534 flat angles P-C4'-P energy: -42.667 tors. eta vs tors. theta energy: -52.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -758.073784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.073784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.073784 (E_RNA) where: Base-Base interactions energy: -473.690 where: short stacking energy: -240.773 Base-Backbone interact. energy: -0.970 local terms energy: -283.413599 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -60.439 flat angles C4'-P-C4' energy: -61.736 flat angles P-C4'-P energy: -43.230 tors. eta vs tors. theta energy: -58.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -644.845935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.845935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.845935 (E_RNA) where: Base-Base interactions energy: -375.786 where: short stacking energy: -191.970 Base-Backbone interact. energy: -0.921 local terms energy: -268.138495 where: bonds (distance) C4'-P energy: -63.821 bonds (distance) P-C4' energy: -72.853 flat angles C4'-P-C4' energy: -56.222 flat angles P-C4'-P energy: -34.017 tors. eta vs tors. theta energy: -41.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -575.788350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.788350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.788350 (E_RNA) where: Base-Base interactions energy: -340.841 where: short stacking energy: -169.754 Base-Backbone interact. energy: 2.300 local terms energy: -237.247257 where: bonds (distance) C4'-P energy: -48.935 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -58.420 flat angles P-C4'-P energy: -40.682 tors. eta vs tors. theta energy: -26.591 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: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -460.792411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.792411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.792411 (E_RNA) where: Base-Base interactions energy: -258.980 where: short stacking energy: -129.906 Base-Backbone interact. energy: 0.413 local terms energy: -202.224855 where: bonds (distance) C4'-P energy: -66.678 bonds (distance) P-C4' energy: -55.329 flat angles C4'-P-C4' energy: -38.433 flat angles P-C4'-P energy: -35.511 tors. eta vs tors. theta energy: -6.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -386.213285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.213285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.213285 (E_RNA) where: Base-Base interactions energy: -191.804 where: short stacking energy: -114.934 Base-Backbone interact. energy: 0.850 local terms energy: -195.259419 where: bonds (distance) C4'-P energy: -62.409 bonds (distance) P-C4' energy: -43.312 flat angles C4'-P-C4' energy: -45.770 flat angles P-C4'-P energy: -39.539 tors. eta vs tors. theta energy: -4.229 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: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1184.783760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.783760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.783760 (E_RNA) where: Base-Base interactions energy: -785.150 where: short stacking energy: -369.668 Base-Backbone interact. energy: -0.886 local terms energy: -398.747636 where: bonds (distance) C4'-P energy: -70.439 bonds (distance) P-C4' energy: -74.052 flat angles C4'-P-C4' energy: -80.078 flat angles P-C4'-P energy: -59.730 tors. eta vs tors. theta energy: -114.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1120.295105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.295105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.295105 (E_RNA) where: Base-Base interactions energy: -763.783 where: short stacking energy: -349.925 Base-Backbone interact. energy: -0.143 local terms energy: -356.368766 where: bonds (distance) C4'-P energy: -63.085 bonds (distance) P-C4' energy: -75.456 flat angles C4'-P-C4' energy: -72.762 flat angles P-C4'-P energy: -47.616 tors. eta vs tors. theta energy: -97.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1076.354871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.354871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.354871 (E_RNA) where: Base-Base interactions energy: -714.784 where: short stacking energy: -358.437 Base-Backbone interact. energy: 0.305 local terms energy: -361.875753 where: bonds (distance) C4'-P energy: -64.076 bonds (distance) P-C4' energy: -72.608 flat angles C4'-P-C4' energy: -77.906 flat angles P-C4'-P energy: -39.568 tors. eta vs tors. theta energy: -107.718 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: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -977.243046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.243046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.243046 (E_RNA) where: Base-Base interactions energy: -642.557 where: short stacking energy: -282.783 Base-Backbone interact. energy: -0.531 local terms energy: -334.154798 where: bonds (distance) C4'-P energy: -61.961 bonds (distance) P-C4' energy: -69.476 flat angles C4'-P-C4' energy: -70.227 flat angles P-C4'-P energy: -50.198 tors. eta vs tors. theta energy: -82.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -877.281929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.281929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.281929 (E_RNA) where: Base-Base interactions energy: -562.296 where: short stacking energy: -255.535 Base-Backbone interact. energy: 1.834 local terms energy: -316.820003 where: bonds (distance) C4'-P energy: -70.758 bonds (distance) P-C4' energy: -65.123 flat angles C4'-P-C4' energy: -71.803 flat angles P-C4'-P energy: -44.219 tors. eta vs tors. theta energy: -64.916 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: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -768.890384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.890384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.890384 (E_RNA) where: Base-Base interactions energy: -484.158 where: short stacking energy: -236.826 Base-Backbone interact. energy: -0.697 local terms energy: -284.034620 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -57.739 flat angles C4'-P-C4' energy: -62.351 flat angles P-C4'-P energy: -48.243 tors. eta vs tors. theta energy: -59.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -741.670752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.670752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.670752 (E_RNA) where: Base-Base interactions energy: -457.184 where: short stacking energy: -218.125 Base-Backbone interact. energy: -0.214 local terms energy: -284.272693 where: bonds (distance) C4'-P energy: -72.042 bonds (distance) P-C4' energy: -64.071 flat angles C4'-P-C4' energy: -63.477 flat angles P-C4'-P energy: -34.123 tors. eta vs tors. theta energy: -50.560 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: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -572.833399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.833399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.833399 (E_RNA) where: Base-Base interactions energy: -309.972 where: short stacking energy: -171.903 Base-Backbone interact. energy: 0.114 local terms energy: -262.976133 where: bonds (distance) C4'-P energy: -63.710 bonds (distance) P-C4' energy: -66.284 flat angles C4'-P-C4' energy: -61.517 flat angles P-C4'-P energy: -39.075 tors. eta vs tors. theta energy: -32.390 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: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -482.325083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.325083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.325083 (E_RNA) where: Base-Base interactions energy: -277.372 where: short stacking energy: -166.787 Base-Backbone interact. energy: 1.586 local terms energy: -206.538809 where: bonds (distance) C4'-P energy: -57.549 bonds (distance) P-C4' energy: -53.596 flat angles C4'-P-C4' energy: -45.968 flat angles P-C4'-P energy: -36.167 tors. eta vs tors. theta energy: -13.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -394.164255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.164255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.164255 (E_RNA) where: Base-Base interactions energy: -191.693 where: short stacking energy: -108.223 Base-Backbone interact. energy: -0.233 local terms energy: -202.237851 where: bonds (distance) C4'-P energy: -58.470 bonds (distance) P-C4' energy: -65.979 flat angles C4'-P-C4' energy: -45.913 flat angles P-C4'-P energy: -36.471 tors. eta vs tors. theta energy: 4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1183.516921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.516921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.516921 (E_RNA) where: Base-Base interactions energy: -813.032 where: short stacking energy: -381.217 Base-Backbone interact. energy: -1.838 local terms energy: -368.646705 where: bonds (distance) C4'-P energy: -59.393 bonds (distance) P-C4' energy: -67.606 flat angles C4'-P-C4' energy: -74.875 flat angles P-C4'-P energy: -52.179 tors. eta vs tors. theta energy: -114.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1096.842904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.842904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.842904 (E_RNA) where: Base-Base interactions energy: -751.238 where: short stacking energy: -343.980 Base-Backbone interact. energy: -1.218 local terms energy: -344.387467 where: bonds (distance) C4'-P energy: -57.592 bonds (distance) P-C4' energy: -74.720 flat angles C4'-P-C4' energy: -72.230 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: -95.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -998.191791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.191791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.191791 (E_RNA) where: Base-Base interactions energy: -657.346 where: short stacking energy: -319.241 Base-Backbone interact. energy: -0.368 local terms energy: -340.478052 where: bonds (distance) C4'-P energy: -51.045 bonds (distance) P-C4' energy: -68.357 flat angles C4'-P-C4' energy: -78.271 flat angles P-C4'-P energy: -56.213 tors. eta vs tors. theta energy: -86.592 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: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1029.307031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.307031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.307031 (E_RNA) where: Base-Base interactions energy: -679.027 where: short stacking energy: -320.040 Base-Backbone interact. energy: -1.101 local terms energy: -349.179595 where: bonds (distance) C4'-P energy: -62.332 bonds (distance) P-C4' energy: -65.916 flat angles C4'-P-C4' energy: -69.347 flat angles P-C4'-P energy: -48.091 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: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -893.424384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.424384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.424384 (E_RNA) where: Base-Base interactions energy: -586.668 where: short stacking energy: -266.227 Base-Backbone interact. energy: -1.072 local terms energy: -305.684232 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -61.024 flat angles C4'-P-C4' energy: -64.344 flat angles P-C4'-P energy: -50.448 tors. eta vs tors. theta energy: -68.744 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: 360 Temperature: 1.150000 Total energy: -769.847876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.847876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.847876 (E_RNA) where: Base-Base interactions energy: -479.981 where: short stacking energy: -249.237 Base-Backbone interact. energy: -0.273 local terms energy: -289.594103 where: bonds (distance) C4'-P energy: -63.917 bonds (distance) P-C4' energy: -61.442 flat angles C4'-P-C4' energy: -65.204 flat angles P-C4'-P energy: -37.284 tors. eta vs tors. theta energy: -61.748 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: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -731.540772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.540772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.540772 (E_RNA) where: Base-Base interactions energy: -471.430 where: short stacking energy: -223.756 Base-Backbone interact. energy: -0.815 local terms energy: -259.295419 where: bonds (distance) C4'-P energy: -55.475 bonds (distance) P-C4' energy: -60.208 flat angles C4'-P-C4' energy: -62.358 flat angles P-C4'-P energy: -30.579 tors. eta vs tors. theta energy: -50.676 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: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -576.363576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.363576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.363576 (E_RNA) where: Base-Base interactions energy: -358.232 where: short stacking energy: -174.371 Base-Backbone interact. energy: -1.091 local terms energy: -217.040458 where: bonds (distance) C4'-P energy: -51.238 bonds (distance) P-C4' energy: -59.240 flat angles C4'-P-C4' energy: -52.072 flat angles P-C4'-P energy: -23.997 tors. eta vs tors. theta energy: -30.495 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: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -487.837844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.837844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.837844 (E_RNA) where: Base-Base interactions energy: -268.200 where: short stacking energy: -164.926 Base-Backbone interact. energy: 1.862 local terms energy: -221.498952 where: bonds (distance) C4'-P energy: -59.633 bonds (distance) P-C4' energy: -53.767 flat angles C4'-P-C4' energy: -55.210 flat angles P-C4'-P energy: -29.244 tors. eta vs tors. theta energy: -23.646 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: 2 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -402.453142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.453142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.453142 (E_RNA) where: Base-Base interactions energy: -196.036 where: short stacking energy: -131.891 Base-Backbone interact. energy: -1.924 local terms energy: -204.492760 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -56.985 flat angles C4'-P-C4' energy: -42.134 flat angles P-C4'-P energy: -31.113 tors. eta vs tors. theta energy: -15.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1166.515671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.515671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.515671 (E_RNA) where: Base-Base interactions energy: -778.200 where: short stacking energy: -365.217 Base-Backbone interact. energy: -0.578 local terms energy: -387.737529 where: bonds (distance) C4'-P energy: -68.631 bonds (distance) P-C4' energy: -77.464 flat angles C4'-P-C4' energy: -77.733 flat angles P-C4'-P energy: -55.841 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: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1109.729388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.729388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.729388 (E_RNA) where: Base-Base interactions energy: -747.238 where: short stacking energy: -346.029 Base-Backbone interact. energy: 0.316 local terms energy: -362.807939 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -72.004 flat angles C4'-P-C4' energy: -79.544 flat angles P-C4'-P energy: -53.107 tors. eta vs tors. theta energy: -95.977 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: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1016.467235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.467235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.467235 (E_RNA) where: Base-Base interactions energy: -668.809 where: short stacking energy: -319.696 Base-Backbone interact. energy: -1.438 local terms energy: -346.219617 where: bonds (distance) C4'-P energy: -63.051 bonds (distance) P-C4' energy: -65.668 flat angles C4'-P-C4' energy: -81.513 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -80.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1007.743044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.743044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.743044 (E_RNA) where: Base-Base interactions energy: -674.408 where: short stacking energy: -309.244 Base-Backbone interact. energy: -0.149 local terms energy: -333.185263 where: bonds (distance) C4'-P energy: -71.092 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -65.290 flat angles P-C4'-P energy: -43.975 tors. eta vs tors. theta energy: -86.438 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: 3 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -868.142769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.142769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.142769 (E_RNA) where: Base-Base interactions energy: -552.814 where: short stacking energy: -254.485 Base-Backbone interact. energy: -0.653 local terms energy: -314.675708 where: bonds (distance) C4'-P energy: -66.560 bonds (distance) P-C4' energy: -69.532 flat angles C4'-P-C4' energy: -67.864 flat angles P-C4'-P energy: -36.459 tors. eta vs tors. theta energy: -74.260 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: 6, replica: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -771.362272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.362272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.362272 (E_RNA) where: Base-Base interactions energy: -492.437 where: short stacking energy: -236.127 Base-Backbone interact. energy: -0.149 local terms energy: -278.776074 where: bonds (distance) C4'-P energy: -54.708 bonds (distance) P-C4' energy: -64.993 flat angles C4'-P-C4' energy: -67.448 flat angles P-C4'-P energy: -33.912 tors. eta vs tors. theta energy: -57.715 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: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -718.759075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.759075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.759075 (E_RNA) where: Base-Base interactions energy: -446.514 where: short stacking energy: -231.779 Base-Backbone interact. energy: -0.552 local terms energy: -271.693280 where: bonds (distance) C4'-P energy: -60.015 bonds (distance) P-C4' energy: -62.783 flat angles C4'-P-C4' energy: -61.743 flat angles P-C4'-P energy: -33.446 tors. eta vs tors. theta energy: -53.706 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: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -542.691482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.691482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.691482 (E_RNA) where: Base-Base interactions energy: -298.853 where: short stacking energy: -146.484 Base-Backbone interact. energy: 3.673 local terms energy: -247.510765 where: bonds (distance) C4'-P energy: -63.192 bonds (distance) P-C4' energy: -63.085 flat angles C4'-P-C4' energy: -63.947 flat angles P-C4'-P energy: -41.157 tors. eta vs tors. theta energy: -16.130 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: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -471.334718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.334718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.334718 (E_RNA) where: Base-Base interactions energy: -249.936 where: short stacking energy: -131.757 Base-Backbone interact. energy: 0.657 local terms energy: -222.055289 where: bonds (distance) C4'-P energy: -59.520 bonds (distance) P-C4' energy: -70.380 flat angles C4'-P-C4' energy: -52.368 flat angles P-C4'-P energy: -28.978 tors. eta vs tors. theta energy: -10.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -410.331138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.331138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.331138 (E_RNA) where: Base-Base interactions energy: -208.968 where: short stacking energy: -114.364 Base-Backbone interact. energy: -2.261 local terms energy: -199.102536 where: bonds (distance) C4'-P energy: -60.942 bonds (distance) P-C4' energy: -65.752 flat angles C4'-P-C4' energy: -48.108 flat angles P-C4'-P energy: -29.563 tors. eta vs tors. theta energy: 5.263 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: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1164.291898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.291898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.291898 (E_RNA) where: Base-Base interactions energy: -781.020 where: short stacking energy: -360.480 Base-Backbone interact. energy: -0.397 local terms energy: -382.874926 where: bonds (distance) C4'-P energy: -78.778 bonds (distance) P-C4' energy: -74.890 flat angles C4'-P-C4' energy: -75.448 flat angles P-C4'-P energy: -43.958 tors. eta vs tors. theta energy: -109.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1079.042023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.042023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.042023 (E_RNA) where: Base-Base interactions energy: -743.226 where: short stacking energy: -345.653 Base-Backbone interact. energy: -1.248 local terms energy: -334.568346 where: bonds (distance) C4'-P energy: -56.996 bonds (distance) P-C4' energy: -60.995 flat angles C4'-P-C4' energy: -73.354 flat angles P-C4'-P energy: -49.612 tors. eta vs tors. theta energy: -93.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1036.417322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.417322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.417322 (E_RNA) where: Base-Base interactions energy: -699.267 where: short stacking energy: -333.128 Base-Backbone interact. energy: -0.192 local terms energy: -336.958814 where: bonds (distance) C4'-P energy: -63.686 bonds (distance) P-C4' energy: -62.685 flat angles C4'-P-C4' energy: -66.720 flat angles P-C4'-P energy: -44.698 tors. eta vs tors. theta energy: -99.169 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: 362 Temperature: 1.050000 Total energy: -979.001934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.001934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.001934 (E_RNA) where: Base-Base interactions energy: -641.090 where: short stacking energy: -301.927 Base-Backbone interact. energy: -0.481 local terms energy: -337.430600 where: bonds (distance) C4'-P energy: -64.642 bonds (distance) P-C4' energy: -73.563 flat angles C4'-P-C4' energy: -72.778 flat angles P-C4'-P energy: -41.867 tors. eta vs tors. theta energy: -84.581 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: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -857.302508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.302508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.302508 (E_RNA) where: Base-Base interactions energy: -552.996 where: short stacking energy: -261.828 Base-Backbone interact. energy: -1.833 local terms energy: -302.473569 where: bonds (distance) C4'-P energy: -59.729 bonds (distance) P-C4' energy: -68.144 flat angles C4'-P-C4' energy: -68.825 flat angles P-C4'-P energy: -44.875 tors. eta vs tors. theta energy: -60.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -781.804746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.804746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.804746 (E_RNA) where: Base-Base interactions energy: -508.851 where: short stacking energy: -253.649 Base-Backbone interact. energy: 0.536 local terms energy: -273.488960 where: bonds (distance) C4'-P energy: -54.821 bonds (distance) P-C4' energy: -64.976 flat angles C4'-P-C4' energy: -54.742 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: -60.131 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: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -677.443348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.443348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.443348 (E_RNA) where: Base-Base interactions energy: -412.980 where: short stacking energy: -194.420 Base-Backbone interact. energy: 3.892 local terms energy: -268.355243 where: bonds (distance) C4'-P energy: -53.851 bonds (distance) P-C4' energy: -60.360 flat angles C4'-P-C4' energy: -64.955 flat angles P-C4'-P energy: -42.125 tors. eta vs tors. theta energy: -47.064 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: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -598.510615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.510615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.510615 (E_RNA) where: Base-Base interactions energy: -342.543 where: short stacking energy: -170.265 Base-Backbone interact. energy: 0.385 local terms energy: -256.352574 where: bonds (distance) C4'-P energy: -62.510 bonds (distance) P-C4' energy: -58.118 flat angles C4'-P-C4' energy: -60.200 flat angles P-C4'-P energy: -34.961 tors. eta vs tors. theta energy: -40.562 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: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -446.459759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.459759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.459759 (E_RNA) where: Base-Base interactions energy: -223.779 where: short stacking energy: -122.784 Base-Backbone interact. energy: 0.423 local terms energy: -223.103643 where: bonds (distance) C4'-P energy: -48.105 bonds (distance) P-C4' energy: -55.077 flat angles C4'-P-C4' energy: -57.184 flat angles P-C4'-P energy: -31.483 tors. eta vs tors. theta energy: -31.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -374.533626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.533626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.533626 (E_RNA) where: Base-Base interactions energy: -187.634 where: short stacking energy: -97.382 Base-Backbone interact. energy: 1.614 local terms energy: -188.513879 where: bonds (distance) C4'-P energy: -50.806 bonds (distance) P-C4' energy: -60.741 flat angles C4'-P-C4' energy: -53.760 flat angles P-C4'-P energy: -30.690 tors. eta vs tors. theta energy: 7.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1158.635087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.635087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.635087 (E_RNA) where: Base-Base interactions energy: -787.140 where: short stacking energy: -359.466 Base-Backbone interact. energy: -1.316 local terms energy: -370.179377 where: bonds (distance) C4'-P energy: -65.444 bonds (distance) P-C4' energy: -72.802 flat angles C4'-P-C4' energy: -80.512 flat angles P-C4'-P energy: -43.897 tors. eta vs tors. theta energy: -107.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1129.409388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.409388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.409388 (E_RNA) where: Base-Base interactions energy: -757.582 where: short stacking energy: -351.167 Base-Backbone interact. energy: -0.620 local terms energy: -371.208011 where: bonds (distance) C4'-P energy: -71.750 bonds (distance) P-C4' energy: -65.325 flat angles C4'-P-C4' energy: -76.439 flat angles P-C4'-P energy: -50.939 tors. eta vs tors. theta energy: -106.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1031.886553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.886553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.886553 (E_RNA) where: Base-Base interactions energy: -682.222 where: short stacking energy: -333.557 Base-Backbone interact. energy: -0.074 local terms energy: -349.590992 where: bonds (distance) C4'-P energy: -70.701 bonds (distance) P-C4' energy: -65.668 flat angles C4'-P-C4' energy: -70.398 flat angles P-C4'-P energy: -47.694 tors. eta vs tors. theta energy: -95.129 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: 4, replica: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -954.111201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.111201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.111201 (E_RNA) where: Base-Base interactions energy: -633.992 where: short stacking energy: -299.248 Base-Backbone interact. energy: -0.088 local terms energy: -320.030847 where: bonds (distance) C4'-P energy: -66.652 bonds (distance) P-C4' energy: -60.912 flat angles C4'-P-C4' energy: -70.129 flat angles P-C4'-P energy: -45.017 tors. eta vs tors. theta energy: -77.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -875.651475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.651475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.651475 (E_RNA) where: Base-Base interactions energy: -580.906 where: short stacking energy: -287.763 Base-Backbone interact. energy: -2.085 local terms energy: -292.660863 where: bonds (distance) C4'-P energy: -56.676 bonds (distance) P-C4' energy: -62.376 flat angles C4'-P-C4' energy: -66.888 flat angles P-C4'-P energy: -41.287 tors. eta vs tors. theta energy: -65.433 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: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -776.065709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.065709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.065709 (E_RNA) where: Base-Base interactions energy: -480.218 where: short stacking energy: -249.289 Base-Backbone interact. energy: -0.810 local terms energy: -295.037442 where: bonds (distance) C4'-P energy: -56.440 bonds (distance) P-C4' energy: -67.214 flat angles C4'-P-C4' energy: -58.914 flat angles P-C4'-P energy: -50.334 tors. eta vs tors. theta energy: -62.135 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: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -654.928174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.928174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.928174 (E_RNA) where: Base-Base interactions energy: -390.307 where: short stacking energy: -193.729 Base-Backbone interact. energy: 2.846 local terms energy: -267.467249 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -63.168 flat angles C4'-P-C4' energy: -61.125 flat angles P-C4'-P energy: -43.596 tors. eta vs tors. theta energy: -36.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -610.848988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.848988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.848988 (E_RNA) where: Base-Base interactions energy: -343.291 where: short stacking energy: -170.276 Base-Backbone interact. energy: -1.523 local terms energy: -266.035158 where: bonds (distance) C4'-P energy: -60.667 bonds (distance) P-C4' energy: -65.371 flat angles C4'-P-C4' energy: -54.505 flat angles P-C4'-P energy: -49.669 tors. eta vs tors. theta energy: -35.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -509.540528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.540528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.540528 (E_RNA) where: Base-Base interactions energy: -281.713 where: short stacking energy: -131.001 Base-Backbone interact. energy: -0.352 local terms energy: -227.475186 where: bonds (distance) C4'-P energy: -52.341 bonds (distance) P-C4' energy: -67.853 flat angles C4'-P-C4' energy: -58.802 flat angles P-C4'-P energy: -29.733 tors. eta vs tors. theta energy: -18.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -419.791713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.791713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.791713 (E_RNA) where: Base-Base interactions energy: -203.709 where: short stacking energy: -121.756 Base-Backbone interact. energy: -1.223 local terms energy: -214.860011 where: bonds (distance) C4'-P energy: -56.984 bonds (distance) P-C4' energy: -49.921 flat angles C4'-P-C4' energy: -68.796 flat angles P-C4'-P energy: -29.522 tors. eta vs tors. theta energy: -9.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1148.918200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.918200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.918200 (E_RNA) where: Base-Base interactions energy: -771.921 where: short stacking energy: -357.882 Base-Backbone interact. energy: 1.980 local terms energy: -378.976775 where: bonds (distance) C4'-P energy: -65.050 bonds (distance) P-C4' energy: -74.807 flat angles C4'-P-C4' energy: -84.403 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: -107.887 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: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1121.126219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.126219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.126219 (E_RNA) where: Base-Base interactions energy: -752.316 where: short stacking energy: -358.529 Base-Backbone interact. energy: -0.242 local terms energy: -368.568032 where: bonds (distance) C4'-P energy: -71.273 bonds (distance) P-C4' energy: -66.098 flat angles C4'-P-C4' energy: -69.675 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: -103.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1049.528799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.528799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.528799 (E_RNA) where: Base-Base interactions energy: -707.413 where: short stacking energy: -342.405 Base-Backbone interact. energy: -0.529 local terms energy: -341.586179 where: bonds (distance) C4'-P energy: -67.335 bonds (distance) P-C4' energy: -56.913 flat angles C4'-P-C4' energy: -69.787 flat angles P-C4'-P energy: -47.007 tors. eta vs tors. theta energy: -100.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -993.880264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.880264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.880264 (E_RNA) where: Base-Base interactions energy: -656.477 where: short stacking energy: -313.162 Base-Backbone interact. energy: 0.817 local terms energy: -338.220796 where: bonds (distance) C4'-P energy: -55.616 bonds (distance) P-C4' energy: -63.147 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -52.845 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: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -872.150907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.150907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.150907 (E_RNA) where: Base-Base interactions energy: -559.833 where: short stacking energy: -285.063 Base-Backbone interact. energy: -1.421 local terms energy: -310.897147 where: bonds (distance) C4'-P energy: -54.601 bonds (distance) P-C4' energy: -54.953 flat angles C4'-P-C4' energy: -71.107 flat angles P-C4'-P energy: -49.578 tors. eta vs tors. theta energy: -80.659 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: 364 Temperature: 1.150000 Total energy: -789.246679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.246679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.246679 (E_RNA) where: Base-Base interactions energy: -476.836 where: short stacking energy: -240.464 Base-Backbone interact. energy: 0.360 local terms energy: -312.771172 where: bonds (distance) C4'-P energy: -64.340 bonds (distance) P-C4' energy: -69.887 flat angles C4'-P-C4' energy: -68.038 flat angles P-C4'-P energy: -48.070 tors. eta vs tors. theta energy: -62.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -651.362399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.362399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.362399 (E_RNA) where: Base-Base interactions energy: -402.639 where: short stacking energy: -199.423 Base-Backbone interact. energy: 3.163 local terms energy: -251.886263 where: bonds (distance) C4'-P energy: -61.633 bonds (distance) P-C4' energy: -49.820 flat angles C4'-P-C4' energy: -64.492 flat angles P-C4'-P energy: -43.641 tors. eta vs tors. theta energy: -32.300 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: 364 Temperature: 1.250000 Total energy: -557.497099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.497099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.497099 (E_RNA) where: Base-Base interactions energy: -327.198 where: short stacking energy: -178.045 Base-Backbone interact. energy: -1.423 local terms energy: -228.876466 where: bonds (distance) C4'-P energy: -44.482 bonds (distance) P-C4' energy: -48.295 flat angles C4'-P-C4' energy: -59.740 flat angles P-C4'-P energy: -43.870 tors. eta vs tors. theta energy: -32.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -408.489507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.489507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.489507 (E_RNA) where: Base-Base interactions energy: -207.716 where: short stacking energy: -141.837 Base-Backbone interact. energy: -0.499 local terms energy: -200.274617 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -45.154 flat angles C4'-P-C4' energy: -59.036 flat angles P-C4'-P energy: -26.858 tors. eta vs tors. theta energy: -8.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -404.075435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.075435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.075435 (E_RNA) where: Base-Base interactions energy: -211.168 where: short stacking energy: -124.782 Base-Backbone interact. energy: -0.501 local terms energy: -192.406503 where: bonds (distance) C4'-P energy: -48.656 bonds (distance) P-C4' energy: -56.582 flat angles C4'-P-C4' energy: -55.404 flat angles P-C4'-P energy: -32.823 tors. eta vs tors. theta energy: 1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1132.681226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.681226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.681226 (E_RNA) where: Base-Base interactions energy: -762.303 where: short stacking energy: -369.246 Base-Backbone interact. energy: 4.580 local terms energy: -374.957277 where: bonds (distance) C4'-P energy: -73.408 bonds (distance) P-C4' energy: -67.195 flat angles C4'-P-C4' energy: -82.520 flat angles P-C4'-P energy: -43.405 tors. eta vs tors. theta energy: -108.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1160.973383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.973383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.973383 (E_RNA) where: Base-Base interactions energy: -791.131 where: short stacking energy: -382.211 Base-Backbone interact. energy: 2.017 local terms energy: -371.859724 where: bonds (distance) C4'-P energy: -66.161 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -75.588 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -115.764 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: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1046.440970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.440970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.440970 (E_RNA) where: Base-Base interactions energy: -659.567 where: short stacking energy: -331.690 Base-Backbone interact. energy: -0.603 local terms energy: -386.270491 where: bonds (distance) C4'-P energy: -77.300 bonds (distance) P-C4' energy: -80.159 flat angles C4'-P-C4' energy: -76.704 flat angles P-C4'-P energy: -56.829 tors. eta vs tors. theta energy: -95.279 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: 365 Temperature: 1.050000 Total energy: -982.069357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.069357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.069357 (E_RNA) where: Base-Base interactions energy: -644.265 where: short stacking energy: -314.991 Base-Backbone interact. energy: -1.721 local terms energy: -336.083893 where: bonds (distance) C4'-P energy: -61.465 bonds (distance) P-C4' energy: -73.706 flat angles C4'-P-C4' energy: -67.536 flat angles P-C4'-P energy: -45.348 tors. eta vs tors. theta energy: -88.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -868.382367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.382367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.382367 (E_RNA) where: Base-Base interactions energy: -552.081 where: short stacking energy: -249.868 Base-Backbone interact. energy: -1.543 local terms energy: -314.758206 where: bonds (distance) C4'-P energy: -62.270 bonds (distance) P-C4' energy: -70.414 flat angles C4'-P-C4' energy: -70.186 flat angles P-C4'-P energy: -45.097 tors. eta vs tors. theta energy: -66.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -844.128582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.128582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.128582 (E_RNA) where: Base-Base interactions energy: -540.549 where: short stacking energy: -262.010 Base-Backbone interact. energy: -0.578 local terms energy: -303.002112 where: bonds (distance) C4'-P energy: -59.310 bonds (distance) P-C4' energy: -61.492 flat angles C4'-P-C4' energy: -77.364 flat angles P-C4'-P energy: -42.060 tors. eta vs tors. theta energy: -62.776 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: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -685.730390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.730390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.730390 (E_RNA) where: Base-Base interactions energy: -417.833 where: short stacking energy: -217.278 Base-Backbone interact. energy: -2.073 local terms energy: -265.824416 where: bonds (distance) C4'-P energy: -50.580 bonds (distance) P-C4' energy: -57.150 flat angles C4'-P-C4' energy: -64.992 flat angles P-C4'-P energy: -48.569 tors. eta vs tors. theta energy: -44.534 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: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -570.214373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.214373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.214373 (E_RNA) where: Base-Base interactions energy: -346.565 where: short stacking energy: -178.051 Base-Backbone interact. energy: 6.197 local terms energy: -229.846263 where: bonds (distance) C4'-P energy: -55.968 bonds (distance) P-C4' energy: -50.800 flat angles C4'-P-C4' energy: -58.186 flat angles P-C4'-P energy: -41.758 tors. eta vs tors. theta energy: -23.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -411.596173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.596173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.596173 (E_RNA) where: Base-Base interactions energy: -205.393 where: short stacking energy: -117.343 Base-Backbone interact. energy: 0.439 local terms energy: -206.642635 where: bonds (distance) C4'-P energy: -57.333 bonds (distance) P-C4' energy: -70.428 flat angles C4'-P-C4' energy: -50.172 flat angles P-C4'-P energy: -31.491 tors. eta vs tors. theta energy: 2.782 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: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -495.424770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.424770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.424770 (E_RNA) where: Base-Base interactions energy: -263.222 where: short stacking energy: -144.868 Base-Backbone interact. energy: 0.973 local terms energy: -233.175110 where: bonds (distance) C4'-P energy: -61.832 bonds (distance) P-C4' energy: -58.172 flat angles C4'-P-C4' energy: -46.632 flat angles P-C4'-P energy: -40.375 tors. eta vs tors. theta energy: -26.164 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: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1182.490075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.490075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.490075 (E_RNA) where: Base-Base interactions energy: -797.549 where: short stacking energy: -372.242 Base-Backbone interact. energy: -0.733 local terms energy: -384.207347 where: bonds (distance) C4'-P energy: -63.975 bonds (distance) P-C4' energy: -68.431 flat angles C4'-P-C4' energy: -82.338 flat angles P-C4'-P energy: -50.514 tors. eta vs tors. theta energy: -118.949 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: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1099.002370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.002370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.002370 (E_RNA) where: Base-Base interactions energy: -730.169 where: short stacking energy: -347.300 Base-Backbone interact. energy: -0.913 local terms energy: -367.920400 where: bonds (distance) C4'-P energy: -73.533 bonds (distance) P-C4' energy: -75.723 flat angles C4'-P-C4' energy: -75.618 flat angles P-C4'-P energy: -42.609 tors. eta vs tors. theta energy: -100.437 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: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1017.408647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.408647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.408647 (E_RNA) where: Base-Base interactions energy: -685.391 where: short stacking energy: -326.383 Base-Backbone interact. energy: -2.287 local terms energy: -329.730555 where: bonds (distance) C4'-P energy: -50.261 bonds (distance) P-C4' energy: -68.746 flat angles C4'-P-C4' energy: -73.676 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: -87.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -981.966716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.966716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.966716 (E_RNA) where: Base-Base interactions energy: -648.978 where: short stacking energy: -313.288 Base-Backbone interact. energy: 0.142 local terms energy: -333.130529 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -59.119 flat angles C4'-P-C4' energy: -74.661 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: -92.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -845.695703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.695703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.695703 (E_RNA) where: Base-Base interactions energy: -541.459 where: short stacking energy: -268.927 Base-Backbone interact. energy: -2.008 local terms energy: -302.228758 where: bonds (distance) C4'-P energy: -60.590 bonds (distance) P-C4' energy: -73.061 flat angles C4'-P-C4' energy: -70.027 flat angles P-C4'-P energy: -32.346 tors. eta vs tors. theta energy: -66.205 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: 6, replica: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -808.036616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.036616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.036616 (E_RNA) where: Base-Base interactions energy: -506.563 where: short stacking energy: -244.730 Base-Backbone interact. energy: -1.024 local terms energy: -300.448979 where: bonds (distance) C4'-P energy: -64.532 bonds (distance) P-C4' energy: -59.302 flat angles C4'-P-C4' energy: -75.765 flat angles P-C4'-P energy: -36.285 tors. eta vs tors. theta energy: -64.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -670.278319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.278319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.278319 (E_RNA) where: Base-Base interactions energy: -399.745 where: short stacking energy: -200.324 Base-Backbone interact. energy: -2.375 local terms energy: -268.158660 where: bonds (distance) C4'-P energy: -63.086 bonds (distance) P-C4' energy: -62.333 flat angles C4'-P-C4' energy: -62.519 flat angles P-C4'-P energy: -44.810 tors. eta vs tors. theta energy: -35.410 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: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -586.390307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.390307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.390307 (E_RNA) where: Base-Base interactions energy: -340.644 where: short stacking energy: -161.103 Base-Backbone interact. energy: -1.294 local terms energy: -244.451981 where: bonds (distance) C4'-P energy: -53.266 bonds (distance) P-C4' energy: -63.733 flat angles C4'-P-C4' energy: -62.900 flat angles P-C4'-P energy: -37.447 tors. eta vs tors. theta energy: -27.106 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: 366 Temperature: 1.300000 Total energy: -524.183665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.183665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.183665 (E_RNA) where: Base-Base interactions energy: -317.261 where: short stacking energy: -162.782 Base-Backbone interact. energy: 2.618 local terms energy: -209.539940 where: bonds (distance) C4'-P energy: -45.760 bonds (distance) P-C4' energy: -51.533 flat angles C4'-P-C4' energy: -54.116 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: -22.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -383.004677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.004677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.004677 (E_RNA) where: Base-Base interactions energy: -185.829 where: short stacking energy: -105.712 Base-Backbone interact. energy: 1.659 local terms energy: -198.834456 where: bonds (distance) C4'-P energy: -58.541 bonds (distance) P-C4' energy: -53.726 flat angles C4'-P-C4' energy: -50.885 flat angles P-C4'-P energy: -38.546 tors. eta vs tors. theta energy: 2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1209.431923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.431923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.431923 (E_RNA) where: Base-Base interactions energy: -808.410 where: short stacking energy: -368.497 Base-Backbone interact. energy: 0.275 local terms energy: -401.296667 where: bonds (distance) C4'-P energy: -73.545 bonds (distance) P-C4' energy: -76.657 flat angles C4'-P-C4' energy: -81.588 flat angles P-C4'-P energy: -54.607 tors. eta vs tors. theta energy: -114.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1118.034811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.034811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.034811 (E_RNA) where: Base-Base interactions energy: -751.133 where: short stacking energy: -356.764 Base-Backbone interact. energy: 0.878 local terms energy: -367.779505 where: bonds (distance) C4'-P energy: -63.586 bonds (distance) P-C4' energy: -67.130 flat angles C4'-P-C4' energy: -81.335 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -101.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1010.511515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.511515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.511515 (E_RNA) where: Base-Base interactions energy: -679.414 where: short stacking energy: -306.320 Base-Backbone interact. energy: -1.477 local terms energy: -329.620598 where: bonds (distance) C4'-P energy: -64.640 bonds (distance) P-C4' energy: -59.888 flat angles C4'-P-C4' energy: -60.666 flat angles P-C4'-P energy: -60.184 tors. eta vs tors. theta energy: -84.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1021.701378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.701378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.701378 (E_RNA) where: Base-Base interactions energy: -661.241 where: short stacking energy: -339.620 Base-Backbone interact. energy: 0.183 local terms energy: -360.643577 where: bonds (distance) C4'-P energy: -72.006 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -80.278 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -97.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -902.900571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.900571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.900571 (E_RNA) where: Base-Base interactions energy: -576.766 where: short stacking energy: -292.479 Base-Backbone interact. energy: -0.516 local terms energy: -325.618424 where: bonds (distance) C4'-P energy: -59.496 bonds (distance) P-C4' energy: -65.655 flat angles C4'-P-C4' energy: -73.205 flat angles P-C4'-P energy: -43.054 tors. eta vs tors. theta energy: -84.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -776.019429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.019429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.019429 (E_RNA) where: Base-Base interactions energy: -487.305 where: short stacking energy: -235.304 Base-Backbone interact. energy: 0.458 local terms energy: -289.172292 where: bonds (distance) C4'-P energy: -67.581 bonds (distance) P-C4' energy: -71.581 flat angles C4'-P-C4' energy: -63.644 flat angles P-C4'-P energy: -31.319 tors. eta vs tors. theta energy: -55.046 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: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -676.295034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.295034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.295034 (E_RNA) where: Base-Base interactions energy: -397.217 where: short stacking energy: -212.708 Base-Backbone interact. energy: -1.146 local terms energy: -277.932522 where: bonds (distance) C4'-P energy: -51.527 bonds (distance) P-C4' energy: -63.812 flat angles C4'-P-C4' energy: -61.138 flat angles P-C4'-P energy: -40.699 tors. eta vs tors. theta energy: -60.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -605.697231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.697231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.697231 (E_RNA) where: Base-Base interactions energy: -351.811 where: short stacking energy: -179.162 Base-Backbone interact. energy: 1.484 local terms energy: -255.370473 where: bonds (distance) C4'-P energy: -67.617 bonds (distance) P-C4' energy: -57.848 flat angles C4'-P-C4' energy: -70.462 flat angles P-C4'-P energy: -30.155 tors. eta vs tors. theta energy: -29.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -572.472378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.472378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.472378 (E_RNA) where: Base-Base interactions energy: -331.655 where: short stacking energy: -174.127 Base-Backbone interact. energy: 0.323 local terms energy: -241.140538 where: bonds (distance) C4'-P energy: -47.328 bonds (distance) P-C4' energy: -47.919 flat angles C4'-P-C4' energy: -64.830 flat angles P-C4'-P energy: -44.286 tors. eta vs tors. theta energy: -36.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -380.272748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.272748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.272748 (E_RNA) where: Base-Base interactions energy: -187.997 where: short stacking energy: -120.151 Base-Backbone interact. energy: 1.342 local terms energy: -193.618017 where: bonds (distance) C4'-P energy: -52.433 bonds (distance) P-C4' energy: -64.664 flat angles C4'-P-C4' energy: -50.909 flat angles P-C4'-P energy: -22.549 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1198.870337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.870337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.870337 (E_RNA) where: Base-Base interactions energy: -811.534 where: short stacking energy: -381.518 Base-Backbone interact. energy: 0.448 local terms energy: -387.783982 where: bonds (distance) C4'-P energy: -68.009 bonds (distance) P-C4' energy: -62.901 flat angles C4'-P-C4' energy: -83.295 flat angles P-C4'-P energy: -59.136 tors. eta vs tors. theta energy: -114.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1133.533675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.533675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.533675 (E_RNA) where: Base-Base interactions energy: -770.626 where: short stacking energy: -374.439 Base-Backbone interact. energy: -0.567 local terms energy: -362.340322 where: bonds (distance) C4'-P energy: -65.371 bonds (distance) P-C4' energy: -71.260 flat angles C4'-P-C4' energy: -76.379 flat angles P-C4'-P energy: -49.234 tors. eta vs tors. theta energy: -100.096 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: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1029.198164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.198164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.198164 (E_RNA) where: Base-Base interactions energy: -668.160 where: short stacking energy: -343.881 Base-Backbone interact. energy: -0.498 local terms energy: -360.540072 where: bonds (distance) C4'-P energy: -68.140 bonds (distance) P-C4' energy: -63.759 flat angles C4'-P-C4' energy: -74.441 flat angles P-C4'-P energy: -53.733 tors. eta vs tors. theta energy: -100.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -961.160313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.160313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.160313 (E_RNA) where: Base-Base interactions energy: -633.196 where: short stacking energy: -282.775 Base-Backbone interact. energy: 0.801 local terms energy: -328.766098 where: bonds (distance) C4'-P energy: -68.434 bonds (distance) P-C4' energy: -67.551 flat angles C4'-P-C4' energy: -72.038 flat angles P-C4'-P energy: -45.657 tors. eta vs tors. theta energy: -75.086 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: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -843.955033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.955033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.955033 (E_RNA) where: Base-Base interactions energy: -548.611 where: short stacking energy: -266.713 Base-Backbone interact. energy: 0.947 local terms energy: -296.291197 where: bonds (distance) C4'-P energy: -45.013 bonds (distance) P-C4' energy: -70.044 flat angles C4'-P-C4' energy: -65.030 flat angles P-C4'-P energy: -37.897 tors. eta vs tors. theta energy: -78.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -778.337603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.337603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.337603 (E_RNA) where: Base-Base interactions energy: -501.081 where: short stacking energy: -247.774 Base-Backbone interact. energy: -1.281 local terms energy: -275.976117 where: bonds (distance) C4'-P energy: -62.569 bonds (distance) P-C4' energy: -55.020 flat angles C4'-P-C4' energy: -56.789 flat angles P-C4'-P energy: -42.481 tors. eta vs tors. theta energy: -59.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -591.640675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.640675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.640675 (E_RNA) where: Base-Base interactions energy: -353.292 where: short stacking energy: -180.230 Base-Backbone interact. energy: 3.101 local terms energy: -241.449350 where: bonds (distance) C4'-P energy: -60.136 bonds (distance) P-C4' energy: -66.063 flat angles C4'-P-C4' energy: -47.183 flat angles P-C4'-P energy: -30.238 tors. eta vs tors. theta energy: -37.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -604.617931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.617931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.617931 (E_RNA) where: Base-Base interactions energy: -372.533 where: short stacking energy: -184.064 Base-Backbone interact. energy: -0.931 local terms energy: -231.154276 where: bonds (distance) C4'-P energy: -58.634 bonds (distance) P-C4' energy: -52.599 flat angles C4'-P-C4' energy: -51.903 flat angles P-C4'-P energy: -41.780 tors. eta vs tors. theta energy: -26.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -536.314250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.314250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.314250 (E_RNA) where: Base-Base interactions energy: -300.429 where: short stacking energy: -160.114 Base-Backbone interact. energy: -0.298 local terms energy: -235.587339 where: bonds (distance) C4'-P energy: -69.099 bonds (distance) P-C4' energy: -65.888 flat angles C4'-P-C4' energy: -47.159 flat angles P-C4'-P energy: -35.563 tors. eta vs tors. theta energy: -17.878 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: 2 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -388.306820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.306820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.306820 (E_RNA) where: Base-Base interactions energy: -184.411 where: short stacking energy: -112.866 Base-Backbone interact. energy: -1.093 local terms energy: -202.802195 where: bonds (distance) C4'-P energy: -54.771 bonds (distance) P-C4' energy: -62.240 flat angles C4'-P-C4' energy: -61.253 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: 14.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1163.041049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.041049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.041049 (E_RNA) where: Base-Base interactions energy: -777.076 where: short stacking energy: -363.626 Base-Backbone interact. energy: -1.275 local terms energy: -384.690696 where: bonds (distance) C4'-P energy: -70.561 bonds (distance) P-C4' energy: -75.658 flat angles C4'-P-C4' energy: -77.188 flat angles P-C4'-P energy: -51.275 tors. eta vs tors. theta energy: -110.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1111.299114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.299114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.299114 (E_RNA) where: Base-Base interactions energy: -768.374 where: short stacking energy: -354.357 Base-Backbone interact. energy: -0.889 local terms energy: -342.036484 where: bonds (distance) C4'-P energy: -49.635 bonds (distance) P-C4' energy: -69.163 flat angles C4'-P-C4' energy: -67.259 flat angles P-C4'-P energy: -54.120 tors. eta vs tors. theta energy: -101.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1010.491443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.491443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.491443 (E_RNA) where: Base-Base interactions energy: -652.018 where: short stacking energy: -307.247 Base-Backbone interact. energy: -0.314 local terms energy: -358.158760 where: bonds (distance) C4'-P energy: -64.777 bonds (distance) P-C4' energy: -78.435 flat angles C4'-P-C4' energy: -73.090 flat angles P-C4'-P energy: -50.422 tors. eta vs tors. theta energy: -91.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -980.364054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.364054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.364054 (E_RNA) where: Base-Base interactions energy: -642.028 where: short stacking energy: -290.194 Base-Backbone interact. energy: -0.633 local terms energy: -337.703005 where: bonds (distance) C4'-P energy: -67.981 bonds (distance) P-C4' energy: -71.604 flat angles C4'-P-C4' energy: -63.457 flat angles P-C4'-P energy: -47.040 tors. eta vs tors. theta energy: -87.621 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: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -818.627172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.627172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.627172 (E_RNA) where: Base-Base interactions energy: -517.639 where: short stacking energy: -229.593 Base-Backbone interact. energy: -1.693 local terms energy: -299.295500 where: bonds (distance) C4'-P energy: -63.901 bonds (distance) P-C4' energy: -71.420 flat angles C4'-P-C4' energy: -66.663 flat angles P-C4'-P energy: -42.133 tors. eta vs tors. theta energy: -55.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -813.303869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.303869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.303869 (E_RNA) where: Base-Base interactions energy: -520.291 where: short stacking energy: -260.506 Base-Backbone interact. energy: -0.071 local terms energy: -292.941819 where: bonds (distance) C4'-P energy: -57.277 bonds (distance) P-C4' energy: -67.546 flat angles C4'-P-C4' energy: -70.033 flat angles P-C4'-P energy: -35.917 tors. eta vs tors. theta energy: -62.168 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: 9 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -609.842466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.842466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.842466 (E_RNA) where: Base-Base interactions energy: -355.947 where: short stacking energy: -170.216 Base-Backbone interact. energy: 1.088 local terms energy: -254.984032 where: bonds (distance) C4'-P energy: -54.643 bonds (distance) P-C4' energy: -63.125 flat angles C4'-P-C4' energy: -67.327 flat angles P-C4'-P energy: -39.105 tors. eta vs tors. theta energy: -30.784 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: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -601.899103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.899103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.899103 (E_RNA) where: Base-Base interactions energy: -353.076 where: short stacking energy: -184.910 Base-Backbone interact. energy: 0.559 local terms energy: -249.381321 where: bonds (distance) C4'-P energy: -59.497 bonds (distance) P-C4' energy: -60.831 flat angles C4'-P-C4' energy: -60.421 flat angles P-C4'-P energy: -31.486 tors. eta vs tors. theta energy: -37.146 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: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -540.564202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.564202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.564202 (E_RNA) where: Base-Base interactions energy: -308.155 where: short stacking energy: -177.262 Base-Backbone interact. energy: -0.425 local terms energy: -231.984463 where: bonds (distance) C4'-P energy: -51.185 bonds (distance) P-C4' energy: -53.155 flat angles C4'-P-C4' energy: -57.204 flat angles P-C4'-P energy: -37.924 tors. eta vs tors. theta energy: -32.518 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: 2 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -400.924200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.924200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.924200 (E_RNA) where: Base-Base interactions energy: -201.861 where: short stacking energy: -92.845 Base-Backbone interact. energy: -0.114 local terms energy: -198.949160 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -51.732 flat angles C4'-P-C4' energy: -49.801 flat angles P-C4'-P energy: -40.608 tors. eta vs tors. theta energy: 8.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1177.454596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.454596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.454596 (E_RNA) where: Base-Base interactions energy: -791.932 where: short stacking energy: -386.618 Base-Backbone interact. energy: 0.553 local terms energy: -386.075579 where: bonds (distance) C4'-P energy: -68.383 bonds (distance) P-C4' energy: -73.541 flat angles C4'-P-C4' energy: -80.944 flat angles P-C4'-P energy: -51.091 tors. eta vs tors. theta energy: -112.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1119.426568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.426568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.426568 (E_RNA) where: Base-Base interactions energy: -752.253 where: short stacking energy: -356.905 Base-Backbone interact. energy: 0.020 local terms energy: -367.193578 where: bonds (distance) C4'-P energy: -70.077 bonds (distance) P-C4' energy: -67.544 flat angles C4'-P-C4' energy: -72.781 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -101.712 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: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1003.672898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.672898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.672898 (E_RNA) where: Base-Base interactions energy: -653.486 where: short stacking energy: -310.968 Base-Backbone interact. energy: -0.876 local terms energy: -349.310765 where: bonds (distance) C4'-P energy: -64.522 bonds (distance) P-C4' energy: -70.741 flat angles C4'-P-C4' energy: -77.039 flat angles P-C4'-P energy: -48.956 tors. eta vs tors. theta energy: -88.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -962.783554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.783554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.783554 (E_RNA) where: Base-Base interactions energy: -623.624 where: short stacking energy: -284.434 Base-Backbone interact. energy: 0.316 local terms energy: -339.476298 where: bonds (distance) C4'-P energy: -73.315 bonds (distance) P-C4' energy: -60.347 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -53.790 tors. eta vs tors. theta energy: -81.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -842.302652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.302652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.302652 (E_RNA) where: Base-Base interactions energy: -534.201 where: short stacking energy: -270.662 Base-Backbone interact. energy: -0.531 local terms energy: -307.569999 where: bonds (distance) C4'-P energy: -65.575 bonds (distance) P-C4' energy: -65.832 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -62.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -804.184017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.184017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.184017 (E_RNA) where: Base-Base interactions energy: -504.095 where: short stacking energy: -235.421 Base-Backbone interact. energy: -1.619 local terms energy: -298.470170 where: bonds (distance) C4'-P energy: -56.723 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -74.605 flat angles P-C4'-P energy: -45.627 tors. eta vs tors. theta energy: -59.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -640.308955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.308955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.308955 (E_RNA) where: Base-Base interactions energy: -366.026 where: short stacking energy: -180.909 Base-Backbone interact. energy: 2.792 local terms energy: -277.074900 where: bonds (distance) C4'-P energy: -66.880 bonds (distance) P-C4' energy: -59.369 flat angles C4'-P-C4' energy: -62.339 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -44.380 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: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -579.815502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.815502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.815502 (E_RNA) where: Base-Base interactions energy: -336.344 where: short stacking energy: -167.544 Base-Backbone interact. energy: -1.354 local terms energy: -242.117984 where: bonds (distance) C4'-P energy: -61.960 bonds (distance) P-C4' energy: -75.193 flat angles C4'-P-C4' energy: -54.510 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: -18.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -535.305303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.305303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.305303 (E_RNA) where: Base-Base interactions energy: -286.500 where: short stacking energy: -150.249 Base-Backbone interact. energy: -1.054 local terms energy: -247.751350 where: bonds (distance) C4'-P energy: -52.218 bonds (distance) P-C4' energy: -65.609 flat angles C4'-P-C4' energy: -57.817 flat angles P-C4'-P energy: -38.040 tors. eta vs tors. theta energy: -34.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -378.642157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.642157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.642157 (E_RNA) where: Base-Base interactions energy: -195.021 where: short stacking energy: -106.240 Base-Backbone interact. energy: 0.009 local terms energy: -183.630453 where: bonds (distance) C4'-P energy: -54.635 bonds (distance) P-C4' energy: -58.910 flat angles C4'-P-C4' energy: -43.928 flat angles P-C4'-P energy: -27.494 tors. eta vs tors. theta energy: 1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1163.227268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.227268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.227268 (E_RNA) where: Base-Base interactions energy: -778.068 where: short stacking energy: -370.392 Base-Backbone interact. energy: 1.463 local terms energy: -386.621972 where: bonds (distance) C4'-P energy: -68.962 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -84.972 flat angles P-C4'-P energy: -53.983 tors. eta vs tors. theta energy: -110.334 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: 371 Temperature: 0.950000 Total energy: -1120.750878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.750878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.750878 (E_RNA) where: Base-Base interactions energy: -758.518 where: short stacking energy: -367.695 Base-Backbone interact. energy: 1.739 local terms energy: -363.972228 where: bonds (distance) C4'-P energy: -68.595 bonds (distance) P-C4' energy: -62.122 flat angles C4'-P-C4' energy: -86.540 flat angles P-C4'-P energy: -41.336 tors. eta vs tors. theta energy: -105.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1016.447616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.447616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.447616 (E_RNA) where: Base-Base interactions energy: -671.536 where: short stacking energy: -335.768 Base-Backbone interact. energy: -0.438 local terms energy: -344.473696 where: bonds (distance) C4'-P energy: -63.922 bonds (distance) P-C4' energy: -61.574 flat angles C4'-P-C4' energy: -68.982 flat angles P-C4'-P energy: -50.821 tors. eta vs tors. theta energy: -99.174 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: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -976.111326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.111326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.111326 (E_RNA) where: Base-Base interactions energy: -651.858 where: short stacking energy: -302.634 Base-Backbone interact. energy: 0.036 local terms energy: -324.289430 where: bonds (distance) C4'-P energy: -60.960 bonds (distance) P-C4' energy: -63.335 flat angles C4'-P-C4' energy: -73.145 flat angles P-C4'-P energy: -40.869 tors. eta vs tors. theta energy: -85.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -879.946636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.946636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.946636 (E_RNA) where: Base-Base interactions energy: -568.732 where: short stacking energy: -263.408 Base-Backbone interact. energy: 1.857 local terms energy: -313.072045 where: bonds (distance) C4'-P energy: -61.631 bonds (distance) P-C4' energy: -62.404 flat angles C4'-P-C4' energy: -67.768 flat angles P-C4'-P energy: -46.090 tors. eta vs tors. theta energy: -75.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -752.609803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.609803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.609803 (E_RNA) where: Base-Base interactions energy: -487.076 where: short stacking energy: -225.546 Base-Backbone interact. energy: -0.828 local terms energy: -264.706376 where: bonds (distance) C4'-P energy: -66.535 bonds (distance) P-C4' energy: -70.903 flat angles C4'-P-C4' energy: -55.194 flat angles P-C4'-P energy: -32.674 tors. eta vs tors. theta energy: -39.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -634.403501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.403501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.403501 (E_RNA) where: Base-Base interactions energy: -373.610 where: short stacking energy: -198.780 Base-Backbone interact. energy: -0.420 local terms energy: -260.373264 where: bonds (distance) C4'-P energy: -62.700 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -59.985 flat angles P-C4'-P energy: -42.917 tors. eta vs tors. theta energy: -35.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -607.399629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.399629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.399629 (E_RNA) where: Base-Base interactions energy: -371.762 where: short stacking energy: -175.021 Base-Backbone interact. energy: -0.581 local terms energy: -235.056406 where: bonds (distance) C4'-P energy: -67.666 bonds (distance) P-C4' energy: -52.066 flat angles C4'-P-C4' energy: -55.298 flat angles P-C4'-P energy: -38.229 tors. eta vs tors. theta energy: -21.797 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: 371 Temperature: 1.300000 Total energy: -527.406033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.406033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.406033 (E_RNA) where: Base-Base interactions energy: -286.795 where: short stacking energy: -145.570 Base-Backbone interact. energy: 3.186 local terms energy: -243.796893 where: bonds (distance) C4'-P energy: -54.849 bonds (distance) P-C4' energy: -58.126 flat angles C4'-P-C4' energy: -58.737 flat angles P-C4'-P energy: -39.719 tors. eta vs tors. theta energy: -32.365 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: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -456.081962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.081962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.081962 (E_RNA) where: Base-Base interactions energy: -251.949 where: short stacking energy: -133.194 Base-Backbone interact. energy: -0.268 local terms energy: -203.864624 where: bonds (distance) C4'-P energy: -57.050 bonds (distance) P-C4' energy: -57.506 flat angles C4'-P-C4' energy: -50.630 flat angles P-C4'-P energy: -27.845 tors. eta vs tors. theta energy: -10.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1149.768879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.768879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.768879 (E_RNA) where: Base-Base interactions energy: -772.197 where: short stacking energy: -373.977 Base-Backbone interact. energy: -0.219 local terms energy: -377.352595 where: bonds (distance) C4'-P energy: -66.334 bonds (distance) P-C4' energy: -74.763 flat angles C4'-P-C4' energy: -81.927 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: -107.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1135.155496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.155496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.155496 (E_RNA) where: Base-Base interactions energy: -758.663 where: short stacking energy: -354.089 Base-Backbone interact. energy: -0.214 local terms energy: -376.278263 where: bonds (distance) C4'-P energy: -70.715 bonds (distance) P-C4' energy: -61.959 flat angles C4'-P-C4' energy: -80.046 flat angles P-C4'-P energy: -55.315 tors. eta vs tors. theta energy: -108.243 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: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1034.519037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.519037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.519037 (E_RNA) where: Base-Base interactions energy: -675.727 where: short stacking energy: -329.934 Base-Backbone interact. energy: 0.558 local terms energy: -359.350083 where: bonds (distance) C4'-P energy: -60.294 bonds (distance) P-C4' energy: -68.338 flat angles C4'-P-C4' energy: -79.414 flat angles P-C4'-P energy: -49.026 tors. eta vs tors. theta energy: -102.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -960.468645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.468645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.468645 (E_RNA) where: Base-Base interactions energy: -638.693 where: short stacking energy: -292.664 Base-Backbone interact. energy: -0.999 local terms energy: -320.776601 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -64.819 flat angles C4'-P-C4' energy: -63.006 flat angles P-C4'-P energy: -44.252 tors. eta vs tors. theta energy: -81.500 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: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -912.832590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.832590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.832590 (E_RNA) where: Base-Base interactions energy: -603.536 where: short stacking energy: -299.551 Base-Backbone interact. energy: 3.094 local terms energy: -312.389935 where: bonds (distance) C4'-P energy: -51.815 bonds (distance) P-C4' energy: -69.033 flat angles C4'-P-C4' energy: -70.492 flat angles P-C4'-P energy: -37.320 tors. eta vs tors. theta energy: -83.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -771.001710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.001710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.001710 (E_RNA) where: Base-Base interactions energy: -481.877 where: short stacking energy: -227.612 Base-Backbone interact. energy: -1.043 local terms energy: -288.080994 where: bonds (distance) C4'-P energy: -53.849 bonds (distance) P-C4' energy: -63.464 flat angles C4'-P-C4' energy: -77.587 flat angles P-C4'-P energy: -35.830 tors. eta vs tors. theta energy: -57.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -674.318352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.318352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.318352 (E_RNA) where: Base-Base interactions energy: -404.886 where: short stacking energy: -212.919 Base-Backbone interact. energy: 0.892 local terms energy: -270.324813 where: bonds (distance) C4'-P energy: -61.198 bonds (distance) P-C4' energy: -59.034 flat angles C4'-P-C4' energy: -64.802 flat angles P-C4'-P energy: -34.825 tors. eta vs tors. theta energy: -50.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -608.661787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.661787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.661787 (E_RNA) where: Base-Base interactions energy: -376.072 where: short stacking energy: -179.018 Base-Backbone interact. energy: 2.990 local terms energy: -235.580312 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -63.471 flat angles C4'-P-C4' energy: -59.508 flat angles P-C4'-P energy: -25.217 tors. eta vs tors. theta energy: -33.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -542.763351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.763351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.763351 (E_RNA) where: Base-Base interactions energy: -307.966 where: short stacking energy: -169.009 Base-Backbone interact. energy: -0.437 local terms energy: -234.360815 where: bonds (distance) C4'-P energy: -59.048 bonds (distance) P-C4' energy: -59.138 flat angles C4'-P-C4' energy: -41.094 flat angles P-C4'-P energy: -47.653 tors. eta vs tors. theta energy: -27.428 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: 2 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -376.468217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.468217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.468217 (E_RNA) where: Base-Base interactions energy: -197.868 where: short stacking energy: -106.608 Base-Backbone interact. energy: -1.170 local terms energy: -177.431040 where: bonds (distance) C4'-P energy: -47.647 bonds (distance) P-C4' energy: -58.859 flat angles C4'-P-C4' energy: -39.466 flat angles P-C4'-P energy: -17.965 tors. eta vs tors. theta energy: -13.494 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: 373 Temperature: 0.900000 Total energy: -1159.020090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.020090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.020090 (E_RNA) where: Base-Base interactions energy: -789.691 where: short stacking energy: -361.886 Base-Backbone interact. energy: -2.179 local terms energy: -367.149737 where: bonds (distance) C4'-P energy: -62.826 bonds (distance) P-C4' energy: -60.292 flat angles C4'-P-C4' energy: -81.998 flat angles P-C4'-P energy: -51.698 tors. eta vs tors. theta energy: -110.335 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: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1123.558278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.558278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.558278 (E_RNA) where: Base-Base interactions energy: -746.780 where: short stacking energy: -338.537 Base-Backbone interact. energy: -1.190 local terms energy: -375.587700 where: bonds (distance) C4'-P energy: -66.762 bonds (distance) P-C4' energy: -72.447 flat angles C4'-P-C4' energy: -77.993 flat angles P-C4'-P energy: -55.916 tors. eta vs tors. theta energy: -102.469 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: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1039.825336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.825336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.825336 (E_RNA) where: Base-Base interactions energy: -669.825 where: short stacking energy: -333.112 Base-Backbone interact. energy: -1.526 local terms energy: -368.474129 where: bonds (distance) C4'-P energy: -65.954 bonds (distance) P-C4' energy: -73.160 flat angles C4'-P-C4' energy: -76.487 flat angles P-C4'-P energy: -49.876 tors. eta vs tors. theta energy: -102.998 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: 4, replica: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -997.248567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.248567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.248567 (E_RNA) where: Base-Base interactions energy: -656.826 where: short stacking energy: -301.164 Base-Backbone interact. energy: -0.411 local terms energy: -340.011161 where: bonds (distance) C4'-P energy: -65.941 bonds (distance) P-C4' energy: -68.850 flat angles C4'-P-C4' energy: -76.441 flat angles P-C4'-P energy: -44.929 tors. eta vs tors. theta energy: -83.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -896.172523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.172523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.172523 (E_RNA) where: Base-Base interactions energy: -578.628 where: short stacking energy: -277.955 Base-Backbone interact. energy: 1.540 local terms energy: -319.084830 where: bonds (distance) C4'-P energy: -62.026 bonds (distance) P-C4' energy: -63.504 flat angles C4'-P-C4' energy: -74.364 flat angles P-C4'-P energy: -42.680 tors. eta vs tors. theta energy: -76.511 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: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -771.393528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.393528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.393528 (E_RNA) where: Base-Base interactions energy: -468.830 where: short stacking energy: -238.155 Base-Backbone interact. energy: -0.746 local terms energy: -301.816891 where: bonds (distance) C4'-P energy: -64.417 bonds (distance) P-C4' energy: -68.408 flat angles C4'-P-C4' energy: -65.280 flat angles P-C4'-P energy: -41.670 tors. eta vs tors. theta energy: -62.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -679.267150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.267150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.267150 (E_RNA) where: Base-Base interactions energy: -389.820 where: short stacking energy: -199.318 Base-Backbone interact. energy: -1.289 local terms energy: -288.158035 where: bonds (distance) C4'-P energy: -60.574 bonds (distance) P-C4' energy: -59.167 flat angles C4'-P-C4' energy: -75.546 flat angles P-C4'-P energy: -43.816 tors. eta vs tors. theta energy: -49.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -548.102844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.102844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.102844 (E_RNA) where: Base-Base interactions energy: -318.963 where: short stacking energy: -151.329 Base-Backbone interact. energy: -1.412 local terms energy: -227.728709 where: bonds (distance) C4'-P energy: -67.028 bonds (distance) P-C4' energy: -64.822 flat angles C4'-P-C4' energy: -46.329 flat angles P-C4'-P energy: -31.998 tors. eta vs tors. theta energy: -17.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -534.269375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.269375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.269375 (E_RNA) where: Base-Base interactions energy: -287.441 where: short stacking energy: -154.566 Base-Backbone interact. energy: -0.818 local terms energy: -246.010442 where: bonds (distance) C4'-P energy: -66.790 bonds (distance) P-C4' energy: -52.020 flat angles C4'-P-C4' energy: -59.766 flat angles P-C4'-P energy: -40.524 tors. eta vs tors. theta energy: -26.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -413.415934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.415934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.415934 (E_RNA) where: Base-Base interactions energy: -210.943 where: short stacking energy: -110.439 Base-Backbone interact. energy: -2.100 local terms energy: -200.372510 where: bonds (distance) C4'-P energy: -52.534 bonds (distance) P-C4' energy: -66.946 flat angles C4'-P-C4' energy: -50.434 flat angles P-C4'-P energy: -30.338 tors. eta vs tors. theta energy: -0.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1115.598938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.598938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.598938 (E_RNA) where: Base-Base interactions energy: -760.242 where: short stacking energy: -341.020 Base-Backbone interact. energy: -1.570 local terms energy: -353.787007 where: bonds (distance) C4'-P energy: -69.792 bonds (distance) P-C4' energy: -64.599 flat angles C4'-P-C4' energy: -72.864 flat angles P-C4'-P energy: -49.740 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: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1160.606025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.606025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.606025 (E_RNA) where: Base-Base interactions energy: -764.040 where: short stacking energy: -361.717 Base-Backbone interact. energy: -0.141 local terms energy: -396.424500 where: bonds (distance) C4'-P energy: -72.027 bonds (distance) P-C4' energy: -78.047 flat angles C4'-P-C4' energy: -77.669 flat angles P-C4'-P energy: -56.108 tors. eta vs tors. theta energy: -112.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1036.203087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.203087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.203087 (E_RNA) where: Base-Base interactions energy: -669.237 where: short stacking energy: -336.241 Base-Backbone interact. energy: 1.164 local terms energy: -368.129489 where: bonds (distance) C4'-P energy: -63.306 bonds (distance) P-C4' energy: -79.900 flat angles C4'-P-C4' energy: -77.479 flat angles P-C4'-P energy: -46.283 tors. eta vs tors. theta energy: -101.161 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: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -974.429288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.429288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.429288 (E_RNA) where: Base-Base interactions energy: -649.509 where: short stacking energy: -291.216 Base-Backbone interact. energy: -2.245 local terms energy: -322.675209 where: bonds (distance) C4'-P energy: -69.005 bonds (distance) P-C4' energy: -55.271 flat angles C4'-P-C4' energy: -69.456 flat angles P-C4'-P energy: -49.371 tors. eta vs tors. theta energy: -79.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -873.663029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.663029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.663029 (E_RNA) where: Base-Base interactions energy: -558.789 where: short stacking energy: -255.553 Base-Backbone interact. energy: -0.751 local terms energy: -314.122930 where: bonds (distance) C4'-P energy: -72.220 bonds (distance) P-C4' energy: -64.873 flat angles C4'-P-C4' energy: -60.072 flat angles P-C4'-P energy: -47.407 tors. eta vs tors. theta energy: -69.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -777.687996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.687996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.687996 (E_RNA) where: Base-Base interactions energy: -503.921 where: short stacking energy: -243.397 Base-Backbone interact. energy: -0.785 local terms energy: -272.981678 where: bonds (distance) C4'-P energy: -57.204 bonds (distance) P-C4' energy: -60.376 flat angles C4'-P-C4' energy: -53.460 flat angles P-C4'-P energy: -35.455 tors. eta vs tors. theta energy: -66.485 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: 9 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -620.031172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.031172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.031172 (E_RNA) where: Base-Base interactions energy: -363.259 where: short stacking energy: -183.324 Base-Backbone interact. energy: -0.550 local terms energy: -256.221425 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -56.569 flat angles C4'-P-C4' energy: -65.358 flat angles P-C4'-P energy: -38.834 tors. eta vs tors. theta energy: -37.599 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: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -593.115713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.115713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.115713 (E_RNA) where: Base-Base interactions energy: -350.057 where: short stacking energy: -139.488 Base-Backbone interact. energy: 1.723 local terms energy: -244.782149 where: bonds (distance) C4'-P energy: -67.393 bonds (distance) P-C4' energy: -61.198 flat angles C4'-P-C4' energy: -57.492 flat angles P-C4'-P energy: -25.120 tors. eta vs tors. theta energy: -33.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -462.992041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.992041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.992041 (E_RNA) where: Base-Base interactions energy: -235.642 where: short stacking energy: -145.852 Base-Backbone interact. energy: 1.665 local terms energy: -229.015214 where: bonds (distance) C4'-P energy: -48.923 bonds (distance) P-C4' energy: -67.314 flat angles C4'-P-C4' energy: -58.768 flat angles P-C4'-P energy: -28.653 tors. eta vs tors. theta energy: -25.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -530.346404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.346404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.346404 (E_RNA) where: Base-Base interactions energy: -304.984 where: short stacking energy: -145.978 Base-Backbone interact. energy: -0.592 local terms energy: -224.770329 where: bonds (distance) C4'-P energy: -52.523 bonds (distance) P-C4' energy: -67.859 flat angles C4'-P-C4' energy: -60.797 flat angles P-C4'-P energy: -27.373 tors. eta vs tors. theta energy: -16.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1149.359958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.359958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.359958 (E_RNA) where: Base-Base interactions energy: -790.778 where: short stacking energy: -366.713 Base-Backbone interact. energy: -1.549 local terms energy: -357.032418 where: bonds (distance) C4'-P energy: -68.958 bonds (distance) P-C4' energy: -77.986 flat angles C4'-P-C4' energy: -79.488 flat angles P-C4'-P energy: -34.677 tors. eta vs tors. theta energy: -95.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1144.406123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.406123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.406123 (E_RNA) where: Base-Base interactions energy: -772.189 where: short stacking energy: -353.081 Base-Backbone interact. energy: 0.527 local terms energy: -372.743865 where: bonds (distance) C4'-P energy: -70.681 bonds (distance) P-C4' energy: -65.743 flat angles C4'-P-C4' energy: -77.468 flat angles P-C4'-P energy: -53.181 tors. eta vs tors. theta energy: -105.669 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: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1041.419927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.419927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.419927 (E_RNA) where: Base-Base interactions energy: -676.395 where: short stacking energy: -318.381 Base-Backbone interact. energy: -0.603 local terms energy: -364.421763 where: bonds (distance) C4'-P energy: -69.864 bonds (distance) P-C4' energy: -65.574 flat angles C4'-P-C4' energy: -77.870 flat angles P-C4'-P energy: -56.806 tors. eta vs tors. theta energy: -94.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1001.189652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.189652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.189652 (E_RNA) where: Base-Base interactions energy: -662.242 where: short stacking energy: -307.471 Base-Backbone interact. energy: 0.121 local terms energy: -339.068823 where: bonds (distance) C4'-P energy: -64.798 bonds (distance) P-C4' energy: -72.549 flat angles C4'-P-C4' energy: -70.193 flat angles P-C4'-P energy: -50.808 tors. eta vs tors. theta energy: -80.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -886.193602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.193602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.193602 (E_RNA) where: Base-Base interactions energy: -559.262 where: short stacking energy: -269.727 Base-Backbone interact. energy: 0.400 local terms energy: -327.331547 where: bonds (distance) C4'-P energy: -53.724 bonds (distance) P-C4' energy: -69.778 flat angles C4'-P-C4' energy: -75.735 flat angles P-C4'-P energy: -54.090 tors. eta vs tors. theta energy: -74.005 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: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -712.928751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.928751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.928751 (E_RNA) where: Base-Base interactions energy: -438.362 where: short stacking energy: -225.435 Base-Backbone interact. energy: -0.767 local terms energy: -273.799878 where: bonds (distance) C4'-P energy: -56.967 bonds (distance) P-C4' energy: -61.863 flat angles C4'-P-C4' energy: -63.008 flat angles P-C4'-P energy: -40.769 tors. eta vs tors. theta energy: -51.192 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: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -672.702301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.702301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.702301 (E_RNA) where: Base-Base interactions energy: -398.925 where: short stacking energy: -204.433 Base-Backbone interact. energy: -0.910 local terms energy: -272.867430 where: bonds (distance) C4'-P energy: -66.000 bonds (distance) P-C4' energy: -53.835 flat angles C4'-P-C4' energy: -68.914 flat angles P-C4'-P energy: -38.820 tors. eta vs tors. theta energy: -45.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -621.319639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.319639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.319639 (E_RNA) where: Base-Base interactions energy: -385.938 where: short stacking energy: -195.714 Base-Backbone interact. energy: 1.813 local terms energy: -237.194377 where: bonds (distance) C4'-P energy: -48.939 bonds (distance) P-C4' energy: -59.428 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -21.998 tors. eta vs tors. theta energy: -42.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -381.940025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.940025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.940025 (E_RNA) where: Base-Base interactions energy: -194.958 where: short stacking energy: -118.759 Base-Backbone interact. energy: -0.679 local terms energy: -186.302547 where: bonds (distance) C4'-P energy: -49.620 bonds (distance) P-C4' energy: -49.835 flat angles C4'-P-C4' energy: -52.825 flat angles P-C4'-P energy: -39.634 tors. eta vs tors. theta energy: 5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -532.774321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.774321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.774321 (E_RNA) where: Base-Base interactions energy: -327.345 where: short stacking energy: -148.530 Base-Backbone interact. energy: 0.212 local terms energy: -205.641572 where: bonds (distance) C4'-P energy: -48.545 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -48.520 flat angles P-C4'-P energy: -33.298 tors. eta vs tors. theta energy: -17.893 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: 1 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1151.872969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.872969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.872969 (E_RNA) where: Base-Base interactions energy: -786.399 where: short stacking energy: -348.004 Base-Backbone interact. energy: -0.536 local terms energy: -364.937784 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -75.295 flat angles C4'-P-C4' energy: -79.123 flat angles P-C4'-P energy: -52.457 tors. eta vs tors. theta energy: -95.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1165.043998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.043998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.043998 (E_RNA) where: Base-Base interactions energy: -792.495 where: short stacking energy: -374.115 Base-Backbone interact. energy: -1.535 local terms energy: -371.014456 where: bonds (distance) C4'-P energy: -64.195 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -78.824 flat angles P-C4'-P energy: -51.357 tors. eta vs tors. theta energy: -108.517 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: 6 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1035.845434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.845434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.845434 (E_RNA) where: Base-Base interactions energy: -670.844 where: short stacking energy: -309.372 Base-Backbone interact. energy: -1.631 local terms energy: -363.370488 where: bonds (distance) C4'-P energy: -73.671 bonds (distance) P-C4' energy: -63.148 flat angles C4'-P-C4' energy: -81.683 flat angles P-C4'-P energy: -52.197 tors. eta vs tors. theta energy: -92.672 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: 376 Temperature: 1.050000 Total energy: -971.818942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.818942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.818942 (E_RNA) where: Base-Base interactions energy: -649.773 where: short stacking energy: -309.891 Base-Backbone interact. energy: -0.946 local terms energy: -321.100137 where: bonds (distance) C4'-P energy: -61.866 bonds (distance) P-C4' energy: -67.069 flat angles C4'-P-C4' energy: -67.924 flat angles P-C4'-P energy: -31.381 tors. eta vs tors. theta energy: -92.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -884.244684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.244684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.244684 (E_RNA) where: Base-Base interactions energy: -591.539 where: short stacking energy: -279.833 Base-Backbone interact. energy: -1.198 local terms energy: -291.508113 where: bonds (distance) C4'-P energy: -59.973 bonds (distance) P-C4' energy: -53.898 flat angles C4'-P-C4' energy: -61.072 flat angles P-C4'-P energy: -44.887 tors. eta vs tors. theta energy: -71.678 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: 376 Temperature: 1.150000 Total energy: -800.609188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.609188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.609188 (E_RNA) where: Base-Base interactions energy: -494.381 where: short stacking energy: -252.131 Base-Backbone interact. energy: -0.661 local terms energy: -305.567554 where: bonds (distance) C4'-P energy: -68.747 bonds (distance) P-C4' energy: -62.965 flat angles C4'-P-C4' energy: -80.184 flat angles P-C4'-P energy: -39.575 tors. eta vs tors. theta energy: -54.097 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: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -616.283749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.283749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.283749 (E_RNA) where: Base-Base interactions energy: -362.489 where: short stacking energy: -197.919 Base-Backbone interact. energy: -2.002 local terms energy: -251.792881 where: bonds (distance) C4'-P energy: -59.043 bonds (distance) P-C4' energy: -60.698 flat angles C4'-P-C4' energy: -64.543 flat angles P-C4'-P energy: -34.446 tors. eta vs tors. theta energy: -33.063 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: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -634.998482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.998482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.998482 (E_RNA) where: Base-Base interactions energy: -417.882 where: short stacking energy: -206.891 Base-Backbone interact. energy: -1.027 local terms energy: -216.089512 where: bonds (distance) C4'-P energy: -44.655 bonds (distance) P-C4' energy: -54.181 flat angles C4'-P-C4' energy: -50.882 flat angles P-C4'-P energy: -28.169 tors. eta vs tors. theta energy: -38.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -618.677355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.677355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.677355 (E_RNA) where: Base-Base interactions energy: -376.463 where: short stacking energy: -178.921 Base-Backbone interact. energy: -1.713 local terms energy: -240.501527 where: bonds (distance) C4'-P energy: -38.540 bonds (distance) P-C4' energy: -62.974 flat angles C4'-P-C4' energy: -71.958 flat angles P-C4'-P energy: -34.094 tors. eta vs tors. theta energy: -32.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -383.081287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.081287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.081287 (E_RNA) where: Base-Base interactions energy: -181.817 where: short stacking energy: -108.648 Base-Backbone interact. energy: -1.467 local terms energy: -199.796323 where: bonds (distance) C4'-P energy: -58.993 bonds (distance) P-C4' energy: -69.247 flat angles C4'-P-C4' energy: -52.770 flat angles P-C4'-P energy: -20.313 tors. eta vs tors. theta energy: 1.527 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: 377 Temperature: 0.900000 Total energy: -1118.462832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.462832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.462832 (E_RNA) where: Base-Base interactions energy: -753.554 where: short stacking energy: -349.332 Base-Backbone interact. energy: -0.715 local terms energy: -364.194064 where: bonds (distance) C4'-P energy: -63.515 bonds (distance) P-C4' energy: -69.496 flat angles C4'-P-C4' energy: -84.469 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: -95.649 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: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1122.084781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.084781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.084781 (E_RNA) where: Base-Base interactions energy: -751.306 where: short stacking energy: -337.873 Base-Backbone interact. energy: -0.976 local terms energy: -369.803234 where: bonds (distance) C4'-P energy: -73.807 bonds (distance) P-C4' energy: -67.495 flat angles C4'-P-C4' energy: -73.865 flat angles P-C4'-P energy: -53.602 tors. eta vs tors. theta energy: -101.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1041.473904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.473904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.473904 (E_RNA) where: Base-Base interactions energy: -672.197 where: short stacking energy: -328.780 Base-Backbone interact. energy: -1.924 local terms energy: -367.352491 where: bonds (distance) C4'-P energy: -65.079 bonds (distance) P-C4' energy: -64.331 flat angles C4'-P-C4' energy: -75.614 flat angles P-C4'-P energy: -50.488 tors. eta vs tors. theta energy: -111.841 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: 377 Temperature: 1.050000 Total energy: -979.807974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.807974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.807974 (E_RNA) where: Base-Base interactions energy: -650.792 where: short stacking energy: -309.696 Base-Backbone interact. energy: 4.819 local terms energy: -333.835039 where: bonds (distance) C4'-P energy: -63.958 bonds (distance) P-C4' energy: -69.020 flat angles C4'-P-C4' energy: -70.954 flat angles P-C4'-P energy: -51.860 tors. eta vs tors. theta energy: -78.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -907.231234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.231234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.231234 (E_RNA) where: Base-Base interactions energy: -593.063 where: short stacking energy: -276.034 Base-Backbone interact. energy: -1.636 local terms energy: -312.531618 where: bonds (distance) C4'-P energy: -66.334 bonds (distance) P-C4' energy: -61.557 flat angles C4'-P-C4' energy: -61.984 flat angles P-C4'-P energy: -47.805 tors. eta vs tors. theta energy: -74.851 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: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -786.884660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.884660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.884660 (E_RNA) where: Base-Base interactions energy: -491.480 where: short stacking energy: -259.831 Base-Backbone interact. energy: -0.354 local terms energy: -295.051030 where: bonds (distance) C4'-P energy: -49.765 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -69.495 flat angles P-C4'-P energy: -42.125 tors. eta vs tors. theta energy: -68.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -639.080026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.080026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.080026 (E_RNA) where: Base-Base interactions energy: -400.196 where: short stacking energy: -220.946 Base-Backbone interact. energy: -2.161 local terms energy: -236.722176 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -56.976 flat angles C4'-P-C4' energy: -47.481 flat angles P-C4'-P energy: -39.417 tors. eta vs tors. theta energy: -39.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -606.389044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.389044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.389044 (E_RNA) where: Base-Base interactions energy: -353.549 where: short stacking energy: -171.037 Base-Backbone interact. energy: -1.875 local terms energy: -250.965202 where: bonds (distance) C4'-P energy: -44.561 bonds (distance) P-C4' energy: -72.534 flat angles C4'-P-C4' energy: -54.763 flat angles P-C4'-P energy: -42.755 tors. eta vs tors. theta energy: -36.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -608.352422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.352422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.352422 (E_RNA) where: Base-Base interactions energy: -383.670 where: short stacking energy: -177.604 Base-Backbone interact. energy: -0.628 local terms energy: -224.054628 where: bonds (distance) C4'-P energy: -44.926 bonds (distance) P-C4' energy: -56.867 flat angles C4'-P-C4' energy: -58.862 flat angles P-C4'-P energy: -25.694 tors. eta vs tors. theta energy: -37.706 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: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -377.756768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.756768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.756768 (E_RNA) where: Base-Base interactions energy: -162.608 where: short stacking energy: -88.336 Base-Backbone interact. energy: -0.435 local terms energy: -214.714294 where: bonds (distance) C4'-P energy: -68.848 bonds (distance) P-C4' energy: -71.545 flat angles C4'-P-C4' energy: -54.148 flat angles P-C4'-P energy: -37.464 tors. eta vs tors. theta energy: 17.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1141.233320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.233320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.233320 (E_RNA) where: Base-Base interactions energy: -763.193 where: short stacking energy: -352.478 Base-Backbone interact. energy: -0.666 local terms energy: -377.374952 where: bonds (distance) C4'-P energy: -64.705 bonds (distance) P-C4' energy: -72.196 flat angles C4'-P-C4' energy: -77.248 flat angles P-C4'-P energy: -60.530 tors. eta vs tors. theta energy: -102.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1103.058566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.058566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.058566 (E_RNA) where: Base-Base interactions energy: -746.972 where: short stacking energy: -328.736 Base-Backbone interact. energy: 1.633 local terms energy: -357.720056 where: bonds (distance) C4'-P energy: -65.980 bonds (distance) P-C4' energy: -69.283 flat angles C4'-P-C4' energy: -67.312 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -101.742 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: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1036.595500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.595500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.595500 (E_RNA) where: Base-Base interactions energy: -684.290 where: short stacking energy: -342.797 Base-Backbone interact. energy: -0.148 local terms energy: -352.157593 where: bonds (distance) C4'-P energy: -66.023 bonds (distance) P-C4' energy: -51.001 flat angles C4'-P-C4' energy: -76.878 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -104.722 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: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -959.795020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.795020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.795020 (E_RNA) where: Base-Base interactions energy: -629.492 where: short stacking energy: -292.365 Base-Backbone interact. energy: -0.826 local terms energy: -329.477298 where: bonds (distance) C4'-P energy: -63.259 bonds (distance) P-C4' energy: -63.412 flat angles C4'-P-C4' energy: -74.928 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -81.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -852.424337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.424337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.424337 (E_RNA) where: Base-Base interactions energy: -552.220 where: short stacking energy: -267.843 Base-Backbone interact. energy: -0.792 local terms energy: -299.412535 where: bonds (distance) C4'-P energy: -50.362 bonds (distance) P-C4' energy: -53.787 flat angles C4'-P-C4' energy: -75.284 flat angles P-C4'-P energy: -48.415 tors. eta vs tors. theta energy: -71.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -820.245611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.245611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.245611 (E_RNA) where: Base-Base interactions energy: -518.058 where: short stacking energy: -247.828 Base-Backbone interact. energy: -0.007 local terms energy: -302.180276 where: bonds (distance) C4'-P energy: -51.272 bonds (distance) P-C4' energy: -65.895 flat angles C4'-P-C4' energy: -62.179 flat angles P-C4'-P energy: -49.842 tors. eta vs tors. theta energy: -72.992 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: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -666.006451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.006451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.006451 (E_RNA) where: Base-Base interactions energy: -404.940 where: short stacking energy: -200.340 Base-Backbone interact. energy: 1.220 local terms energy: -262.286151 where: bonds (distance) C4'-P energy: -57.131 bonds (distance) P-C4' energy: -66.868 flat angles C4'-P-C4' energy: -53.333 flat angles P-C4'-P energy: -41.116 tors. eta vs tors. theta energy: -43.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -537.892788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.892788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.892788 (E_RNA) where: Base-Base interactions energy: -311.900 where: short stacking energy: -153.097 Base-Backbone interact. energy: -2.121 local terms energy: -223.872478 where: bonds (distance) C4'-P energy: -48.634 bonds (distance) P-C4' energy: -67.502 flat angles C4'-P-C4' energy: -58.180 flat angles P-C4'-P energy: -33.999 tors. eta vs tors. theta energy: -15.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -551.330282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.330282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.330282 (E_RNA) where: Base-Base interactions energy: -333.214 where: short stacking energy: -167.096 Base-Backbone interact. energy: 0.606 local terms energy: -218.721687 where: bonds (distance) C4'-P energy: -57.763 bonds (distance) P-C4' energy: -57.778 flat angles C4'-P-C4' energy: -55.374 flat angles P-C4'-P energy: -32.833 tors. eta vs tors. theta energy: -14.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -384.066147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.066147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.066147 (E_RNA) where: Base-Base interactions energy: -180.251 where: short stacking energy: -109.199 Base-Backbone interact. energy: 5.646 local terms energy: -209.461835 where: bonds (distance) C4'-P energy: -68.050 bonds (distance) P-C4' energy: -67.746 flat angles C4'-P-C4' energy: -45.815 flat angles P-C4'-P energy: -29.791 tors. eta vs tors. theta energy: 1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1168.802868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.802868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.802868 (E_RNA) where: Base-Base interactions energy: -785.274 where: short stacking energy: -362.513 Base-Backbone interact. energy: 0.648 local terms energy: -384.177248 where: bonds (distance) C4'-P energy: -71.755 bonds (distance) P-C4' energy: -74.324 flat angles C4'-P-C4' energy: -82.808 flat angles P-C4'-P energy: -47.593 tors. eta vs tors. theta energy: -107.698 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: 379 Temperature: 0.950000 Total energy: -1087.180098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.180098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.180098 (E_RNA) where: Base-Base interactions energy: -723.392 where: short stacking energy: -336.790 Base-Backbone interact. energy: 0.198 local terms energy: -363.986821 where: bonds (distance) C4'-P energy: -66.039 bonds (distance) P-C4' energy: -66.047 flat angles C4'-P-C4' energy: -73.927 flat angles P-C4'-P energy: -60.547 tors. eta vs tors. theta energy: -97.427 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: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1045.159552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.159552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.159552 (E_RNA) where: Base-Base interactions energy: -700.403 where: short stacking energy: -346.131 Base-Backbone interact. energy: -1.461 local terms energy: -343.295369 where: bonds (distance) C4'-P energy: -64.292 bonds (distance) P-C4' energy: -63.894 flat angles C4'-P-C4' energy: -76.154 flat angles P-C4'-P energy: -39.332 tors. eta vs tors. theta energy: -99.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -989.980799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.980799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.980799 (E_RNA) where: Base-Base interactions energy: -659.542 where: short stacking energy: -301.966 Base-Backbone interact. energy: -0.013 local terms energy: -330.425327 where: bonds (distance) C4'-P energy: -50.842 bonds (distance) P-C4' energy: -67.134 flat angles C4'-P-C4' energy: -70.044 flat angles P-C4'-P energy: -55.264 tors. eta vs tors. theta energy: -87.141 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: 5, replica: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -846.206853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.206853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.206853 (E_RNA) where: Base-Base interactions energy: -549.847 where: short stacking energy: -262.834 Base-Backbone interact. energy: 0.854 local terms energy: -297.213080 where: bonds (distance) C4'-P energy: -54.164 bonds (distance) P-C4' energy: -68.784 flat angles C4'-P-C4' energy: -69.162 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -56.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -794.041041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.041041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.041041 (E_RNA) where: Base-Base interactions energy: -497.072 where: short stacking energy: -240.072 Base-Backbone interact. energy: -0.151 local terms energy: -296.818240 where: bonds (distance) C4'-P energy: -59.285 bonds (distance) P-C4' energy: -69.169 flat angles C4'-P-C4' energy: -63.894 flat angles P-C4'-P energy: -51.426 tors. eta vs tors. theta energy: -53.044 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: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -674.652775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.652775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.652775 (E_RNA) where: Base-Base interactions energy: -398.534 where: short stacking energy: -212.854 Base-Backbone interact. energy: -1.255 local terms energy: -274.863518 where: bonds (distance) C4'-P energy: -59.418 bonds (distance) P-C4' energy: -59.350 flat angles C4'-P-C4' energy: -66.871 flat angles P-C4'-P energy: -37.875 tors. eta vs tors. theta energy: -51.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -581.482219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.482219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.482219 (E_RNA) where: Base-Base interactions energy: -320.262 where: short stacking energy: -181.209 Base-Backbone interact. energy: -0.956 local terms energy: -260.264603 where: bonds (distance) C4'-P energy: -54.358 bonds (distance) P-C4' energy: -61.643 flat angles C4'-P-C4' energy: -61.749 flat angles P-C4'-P energy: -37.020 tors. eta vs tors. theta energy: -45.495 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: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -538.073609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.073609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.073609 (E_RNA) where: Base-Base interactions energy: -311.790 where: short stacking energy: -166.671 Base-Backbone interact. energy: -0.780 local terms energy: -225.504186 where: bonds (distance) C4'-P energy: -60.648 bonds (distance) P-C4' energy: -43.344 flat angles C4'-P-C4' energy: -53.594 flat angles P-C4'-P energy: -49.091 tors. eta vs tors. theta energy: -18.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -376.019254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.019254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.019254 (E_RNA) where: Base-Base interactions energy: -181.371 where: short stacking energy: -112.868 Base-Backbone interact. energy: 3.922 local terms energy: -198.570562 where: bonds (distance) C4'-P energy: -53.148 bonds (distance) P-C4' energy: -59.553 flat angles C4'-P-C4' energy: -58.265 flat angles P-C4'-P energy: -24.809 tors. eta vs tors. theta energy: -2.795 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: 1, replica: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1133.011196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.011196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.011196 (E_RNA) where: Base-Base interactions energy: -760.039 where: short stacking energy: -364.986 Base-Backbone interact. energy: -0.878 local terms energy: -372.094792 where: bonds (distance) C4'-P energy: -63.957 bonds (distance) P-C4' energy: -69.846 flat angles C4'-P-C4' energy: -77.581 flat angles P-C4'-P energy: -58.187 tors. eta vs tors. theta energy: -102.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1136.996806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.996806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.996806 (E_RNA) where: Base-Base interactions energy: -760.290 where: short stacking energy: -348.474 Base-Backbone interact. energy: 1.945 local terms energy: -378.651489 where: bonds (distance) C4'-P energy: -71.935 bonds (distance) P-C4' energy: -66.881 flat angles C4'-P-C4' energy: -83.352 flat angles P-C4'-P energy: -52.676 tors. eta vs tors. theta energy: -103.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1014.917115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.917115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.917115 (E_RNA) where: Base-Base interactions energy: -675.822 where: short stacking energy: -326.729 Base-Backbone interact. energy: 0.805 local terms energy: -339.900339 where: bonds (distance) C4'-P energy: -62.305 bonds (distance) P-C4' energy: -63.819 flat angles C4'-P-C4' energy: -65.306 flat angles P-C4'-P energy: -51.785 tors. eta vs tors. theta energy: -96.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -948.941830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.941830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.941830 (E_RNA) where: Base-Base interactions energy: -622.483 where: short stacking energy: -295.666 Base-Backbone interact. energy: 0.087 local terms energy: -326.546229 where: bonds (distance) C4'-P energy: -59.734 bonds (distance) P-C4' energy: -68.014 flat angles C4'-P-C4' energy: -69.654 flat angles P-C4'-P energy: -52.947 tors. eta vs tors. theta energy: -76.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -863.077959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.077959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.077959 (E_RNA) where: Base-Base interactions energy: -520.087 where: short stacking energy: -245.402 Base-Backbone interact. energy: -0.300 local terms energy: -342.691858 where: bonds (distance) C4'-P energy: -68.218 bonds (distance) P-C4' energy: -78.291 flat angles C4'-P-C4' energy: -78.026 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: -72.665 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: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -804.546264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.546264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.546264 (E_RNA) where: Base-Base interactions energy: -511.076 where: short stacking energy: -252.699 Base-Backbone interact. energy: -0.850 local terms energy: -292.620612 where: bonds (distance) C4'-P energy: -66.020 bonds (distance) P-C4' energy: -60.399 flat angles C4'-P-C4' energy: -65.873 flat angles P-C4'-P energy: -33.614 tors. eta vs tors. theta energy: -66.714 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: 380 Temperature: 1.200000 Total energy: -681.715158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.715158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.715158 (E_RNA) where: Base-Base interactions energy: -405.604 where: short stacking energy: -220.120 Base-Backbone interact. energy: -2.907 local terms energy: -273.204426 where: bonds (distance) C4'-P energy: -47.309 bonds (distance) P-C4' energy: -64.036 flat angles C4'-P-C4' energy: -62.540 flat angles P-C4'-P energy: -54.765 tors. eta vs tors. theta energy: -44.555 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: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -586.242537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.242537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.242537 (E_RNA) where: Base-Base interactions energy: -341.313 where: short stacking energy: -186.789 Base-Backbone interact. energy: -1.005 local terms energy: -243.924033 where: bonds (distance) C4'-P energy: -52.969 bonds (distance) P-C4' energy: -56.358 flat angles C4'-P-C4' energy: -52.304 flat angles P-C4'-P energy: -50.877 tors. eta vs tors. theta energy: -31.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -480.932524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.932524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.932524 (E_RNA) where: Base-Base interactions energy: -280.192 where: short stacking energy: -137.947 Base-Backbone interact. energy: -1.225 local terms energy: -199.514922 where: bonds (distance) C4'-P energy: -54.891 bonds (distance) P-C4' energy: -62.063 flat angles C4'-P-C4' energy: -43.818 flat angles P-C4'-P energy: -33.537 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: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -393.958745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.958745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.958745 (E_RNA) where: Base-Base interactions energy: -184.942 where: short stacking energy: -106.773 Base-Backbone interact. energy: -0.006 local terms energy: -209.010936 where: bonds (distance) C4'-P energy: -61.396 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -52.139 flat angles P-C4'-P energy: -43.246 tors. eta vs tors. theta energy: 9.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1145.907261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.907261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.907261 (E_RNA) where: Base-Base interactions energy: -782.824 where: short stacking energy: -362.458 Base-Backbone interact. energy: -1.430 local terms energy: -361.653705 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -72.799 flat angles C4'-P-C4' energy: -86.423 flat angles P-C4'-P energy: -47.764 tors. eta vs tors. theta energy: -96.036 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: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1142.183738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.183738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.183738 (E_RNA) where: Base-Base interactions energy: -751.159 where: short stacking energy: -370.585 Base-Backbone interact. energy: 0.447 local terms energy: -391.471725 where: bonds (distance) C4'-P energy: -69.190 bonds (distance) P-C4' energy: -70.804 flat angles C4'-P-C4' energy: -82.534 flat angles P-C4'-P energy: -55.972 tors. eta vs tors. theta energy: -112.972 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: 3, replica: 6 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1054.393556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.393556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.393556 (E_RNA) where: Base-Base interactions energy: -698.432 where: short stacking energy: -331.665 Base-Backbone interact. energy: -0.459 local terms energy: -355.503124 where: bonds (distance) C4'-P energy: -61.397 bonds (distance) P-C4' energy: -71.627 flat angles C4'-P-C4' energy: -80.566 flat angles P-C4'-P energy: -41.842 tors. eta vs tors. theta energy: -100.070 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: 4 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -940.243983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.243983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.243983 (E_RNA) where: Base-Base interactions energy: -613.002 where: short stacking energy: -271.361 Base-Backbone interact. energy: -1.863 local terms energy: -325.379162 where: bonds (distance) C4'-P energy: -67.468 bonds (distance) P-C4' energy: -70.700 flat angles C4'-P-C4' energy: -70.337 flat angles P-C4'-P energy: -43.879 tors. eta vs tors. theta energy: -72.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -869.802218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.802218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.802218 (E_RNA) where: Base-Base interactions energy: -558.945 where: short stacking energy: -250.184 Base-Backbone interact. energy: -0.266 local terms energy: -310.591399 where: bonds (distance) C4'-P energy: -69.110 bonds (distance) P-C4' energy: -64.154 flat angles C4'-P-C4' energy: -73.536 flat angles P-C4'-P energy: -37.127 tors. eta vs tors. theta energy: -66.665 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: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -781.802109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.802109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.802109 (E_RNA) where: Base-Base interactions energy: -491.049 where: short stacking energy: -248.909 Base-Backbone interact. energy: -0.560 local terms energy: -290.192895 where: bonds (distance) C4'-P energy: -60.983 bonds (distance) P-C4' energy: -60.065 flat angles C4'-P-C4' energy: -66.468 flat angles P-C4'-P energy: -40.592 tors. eta vs tors. theta energy: -62.085 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: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -679.174587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.174587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.174587 (E_RNA) where: Base-Base interactions energy: -427.800 where: short stacking energy: -220.737 Base-Backbone interact. energy: -1.331 local terms energy: -250.042920 where: bonds (distance) C4'-P energy: -52.332 bonds (distance) P-C4' energy: -53.529 flat angles C4'-P-C4' energy: -66.540 flat angles P-C4'-P energy: -35.755 tors. eta vs tors. theta energy: -41.887 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: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -582.559937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.559937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.559937 (E_RNA) where: Base-Base interactions energy: -345.943 where: short stacking energy: -181.410 Base-Backbone interact. energy: -0.356 local terms energy: -236.260588 where: bonds (distance) C4'-P energy: -52.482 bonds (distance) P-C4' energy: -67.945 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -30.324 tors. eta vs tors. theta energy: -27.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -494.993943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.993943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.993943 (E_RNA) where: Base-Base interactions energy: -288.636 where: short stacking energy: -124.771 Base-Backbone interact. energy: -0.292 local terms energy: -206.066765 where: bonds (distance) C4'-P energy: -63.726 bonds (distance) P-C4' energy: -61.129 flat angles C4'-P-C4' energy: -55.572 flat angles P-C4'-P energy: -20.480 tors. eta vs tors. theta energy: -5.160 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: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -379.401375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.401375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.401375 (E_RNA) where: Base-Base interactions energy: -185.318 where: short stacking energy: -115.529 Base-Backbone interact. energy: 2.349 local terms energy: -196.432451 where: bonds (distance) C4'-P energy: -56.503 bonds (distance) P-C4' energy: -68.539 flat angles C4'-P-C4' energy: -47.486 flat angles P-C4'-P energy: -26.438 tors. eta vs tors. theta energy: 2.534 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: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1155.741850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.741850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.741850 (E_RNA) where: Base-Base interactions energy: -763.941 where: short stacking energy: -380.158 Base-Backbone interact. energy: -0.176 local terms energy: -391.624879 where: bonds (distance) C4'-P energy: -71.145 bonds (distance) P-C4' energy: -67.445 flat angles C4'-P-C4' energy: -81.452 flat angles P-C4'-P energy: -54.605 tors. eta vs tors. theta energy: -116.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1115.660934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.660934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.660934 (E_RNA) where: Base-Base interactions energy: -744.232 where: short stacking energy: -354.915 Base-Backbone interact. energy: -0.638 local terms energy: -370.790762 where: bonds (distance) C4'-P energy: -67.123 bonds (distance) P-C4' energy: -75.697 flat angles C4'-P-C4' energy: -76.811 flat angles P-C4'-P energy: -49.981 tors. eta vs tors. theta energy: -101.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1114.709646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.709646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.709646 (E_RNA) where: Base-Base interactions energy: -759.365 where: short stacking energy: -360.080 Base-Backbone interact. energy: -1.865 local terms energy: -353.479661 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -63.897 flat angles C4'-P-C4' energy: -77.003 flat angles P-C4'-P energy: -48.965 tors. eta vs tors. theta energy: -98.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -964.527954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.527954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.527954 (E_RNA) where: Base-Base interactions energy: -636.885 where: short stacking energy: -286.691 Base-Backbone interact. energy: -1.286 local terms energy: -326.356910 where: bonds (distance) C4'-P energy: -61.790 bonds (distance) P-C4' energy: -72.919 flat angles C4'-P-C4' energy: -71.001 flat angles P-C4'-P energy: -44.160 tors. eta vs tors. theta energy: -76.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -837.482532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.482532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.482532 (E_RNA) where: Base-Base interactions energy: -539.226 where: short stacking energy: -252.516 Base-Backbone interact. energy: 0.631 local terms energy: -298.887916 where: bonds (distance) C4'-P energy: -60.267 bonds (distance) P-C4' energy: -64.539 flat angles C4'-P-C4' energy: -57.134 flat angles P-C4'-P energy: -46.763 tors. eta vs tors. theta energy: -70.184 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: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -779.842782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.842782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.842782 (E_RNA) where: Base-Base interactions energy: -489.260 where: short stacking energy: -206.006 Base-Backbone interact. energy: 0.893 local terms energy: -291.475831 where: bonds (distance) C4'-P energy: -53.635 bonds (distance) P-C4' energy: -71.021 flat angles C4'-P-C4' energy: -73.401 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -49.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -662.097326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.097326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.097326 (E_RNA) where: Base-Base interactions energy: -376.605 where: short stacking energy: -198.490 Base-Backbone interact. energy: -2.919 local terms energy: -282.573242 where: bonds (distance) C4'-P energy: -59.434 bonds (distance) P-C4' energy: -65.329 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -39.373 tors. eta vs tors. theta energy: -52.720 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: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -620.566395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.566395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.566395 (E_RNA) where: Base-Base interactions energy: -343.079 where: short stacking energy: -193.939 Base-Backbone interact. energy: 0.081 local terms energy: -277.568511 where: bonds (distance) C4'-P energy: -57.567 bonds (distance) P-C4' energy: -60.472 flat angles C4'-P-C4' energy: -60.150 flat angles P-C4'-P energy: -44.840 tors. eta vs tors. theta energy: -54.540 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: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -511.501901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.501901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.501901 (E_RNA) where: Base-Base interactions energy: -267.488 where: short stacking energy: -133.844 Base-Backbone interact. energy: -1.246 local terms energy: -242.768638 where: bonds (distance) C4'-P energy: -50.616 bonds (distance) P-C4' energy: -72.402 flat angles C4'-P-C4' energy: -69.829 flat angles P-C4'-P energy: -36.212 tors. eta vs tors. theta energy: -13.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -391.456454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.456454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.456454 (E_RNA) where: Base-Base interactions energy: -181.376 where: short stacking energy: -113.770 Base-Backbone interact. energy: 4.411 local terms energy: -214.491956 where: bonds (distance) C4'-P energy: -59.863 bonds (distance) P-C4' energy: -39.827 flat angles C4'-P-C4' energy: -62.045 flat angles P-C4'-P energy: -40.404 tors. eta vs tors. theta energy: -12.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1144.153127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.153127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.153127 (E_RNA) where: Base-Base interactions energy: -762.577 where: short stacking energy: -358.906 Base-Backbone interact. energy: -0.696 local terms energy: -380.879278 where: bonds (distance) C4'-P energy: -70.356 bonds (distance) P-C4' energy: -64.169 flat angles C4'-P-C4' energy: -78.064 flat angles P-C4'-P energy: -57.779 tors. eta vs tors. theta energy: -110.511 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: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1131.942046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.942046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.942046 (E_RNA) where: Base-Base interactions energy: -771.722 where: short stacking energy: -359.566 Base-Backbone interact. energy: -0.615 local terms energy: -359.605311 where: bonds (distance) C4'-P energy: -71.770 bonds (distance) P-C4' energy: -71.490 flat angles C4'-P-C4' energy: -75.780 flat angles P-C4'-P energy: -40.100 tors. eta vs tors. theta energy: -100.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1078.341090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.341090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.341090 (E_RNA) where: Base-Base interactions energy: -740.191 where: short stacking energy: -338.223 Base-Backbone interact. energy: 0.918 local terms energy: -339.068620 where: bonds (distance) C4'-P energy: -61.467 bonds (distance) P-C4' energy: -69.454 flat angles C4'-P-C4' energy: -73.847 flat angles P-C4'-P energy: -47.525 tors. eta vs tors. theta energy: -86.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -947.084622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.084622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.084622 (E_RNA) where: Base-Base interactions energy: -623.055 where: short stacking energy: -297.039 Base-Backbone interact. energy: -1.913 local terms energy: -322.116607 where: bonds (distance) C4'-P energy: -61.130 bonds (distance) P-C4' energy: -62.547 flat angles C4'-P-C4' energy: -75.249 flat angles P-C4'-P energy: -48.462 tors. eta vs tors. theta energy: -74.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -855.744922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.744922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.744922 (E_RNA) where: Base-Base interactions energy: -579.281 where: short stacking energy: -253.776 Base-Backbone interact. energy: 1.126 local terms energy: -277.589405 where: bonds (distance) C4'-P energy: -66.872 bonds (distance) P-C4' energy: -55.496 flat angles C4'-P-C4' energy: -55.330 flat angles P-C4'-P energy: -39.794 tors. eta vs tors. theta energy: -60.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -805.135395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.135395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.135395 (E_RNA) where: Base-Base interactions energy: -528.241 where: short stacking energy: -253.515 Base-Backbone interact. energy: -0.879 local terms energy: -276.015826 where: bonds (distance) C4'-P energy: -58.899 bonds (distance) P-C4' energy: -54.317 flat angles C4'-P-C4' energy: -59.241 flat angles P-C4'-P energy: -35.354 tors. eta vs tors. theta energy: -68.205 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: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -673.701408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.701408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.701408 (E_RNA) where: Base-Base interactions energy: -413.988 where: short stacking energy: -199.976 Base-Backbone interact. energy: 1.705 local terms energy: -261.418272 where: bonds (distance) C4'-P energy: -54.978 bonds (distance) P-C4' energy: -56.386 flat angles C4'-P-C4' energy: -65.946 flat angles P-C4'-P energy: -41.313 tors. eta vs tors. theta energy: -42.795 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: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -588.701509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.701509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.701509 (E_RNA) where: Base-Base interactions energy: -329.739 where: short stacking energy: -168.824 Base-Backbone interact. energy: -1.305 local terms energy: -257.656981 where: bonds (distance) C4'-P energy: -58.022 bonds (distance) P-C4' energy: -57.250 flat angles C4'-P-C4' energy: -63.010 flat angles P-C4'-P energy: -37.961 tors. eta vs tors. theta energy: -41.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -576.902024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.902024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.902024 (E_RNA) where: Base-Base interactions energy: -356.940 where: short stacking energy: -166.286 Base-Backbone interact. energy: 2.269 local terms energy: -222.230626 where: bonds (distance) C4'-P energy: -52.691 bonds (distance) P-C4' energy: -56.605 flat angles C4'-P-C4' energy: -45.005 flat angles P-C4'-P energy: -29.334 tors. eta vs tors. theta energy: -38.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -416.185432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.185432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.185432 (E_RNA) where: Base-Base interactions energy: -188.219 where: short stacking energy: -100.144 Base-Backbone interact. energy: -0.444 local terms energy: -227.522912 where: bonds (distance) C4'-P energy: -57.577 bonds (distance) P-C4' energy: -68.035 flat angles C4'-P-C4' energy: -59.341 flat angles P-C4'-P energy: -44.430 tors. eta vs tors. theta energy: 1.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1153.707206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.707206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.707206 (E_RNA) where: Base-Base interactions energy: -781.147 where: short stacking energy: -364.489 Base-Backbone interact. energy: 1.787 local terms energy: -374.346682 where: bonds (distance) C4'-P energy: -64.435 bonds (distance) P-C4' energy: -71.451 flat angles C4'-P-C4' energy: -74.006 flat angles P-C4'-P energy: -51.163 tors. eta vs tors. theta energy: -113.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1143.591805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.591805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.591805 (E_RNA) where: Base-Base interactions energy: -769.969 where: short stacking energy: -371.169 Base-Backbone interact. energy: -0.066 local terms energy: -373.557221 where: bonds (distance) C4'-P energy: -64.289 bonds (distance) P-C4' energy: -65.140 flat angles C4'-P-C4' energy: -82.571 flat angles P-C4'-P energy: -51.845 tors. eta vs tors. theta energy: -109.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1073.195482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.195482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.195482 (E_RNA) where: Base-Base interactions energy: -737.298 where: short stacking energy: -327.905 Base-Backbone interact. energy: -0.264 local terms energy: -335.633705 where: bonds (distance) C4'-P energy: -61.279 bonds (distance) P-C4' energy: -61.508 flat angles C4'-P-C4' energy: -73.710 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -88.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -923.481154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.481154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.481154 (E_RNA) where: Base-Base interactions energy: -619.394 where: short stacking energy: -290.626 Base-Backbone interact. energy: -0.226 local terms energy: -303.861006 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -53.439 flat angles C4'-P-C4' energy: -74.490 flat angles P-C4'-P energy: -43.782 tors. eta vs tors. theta energy: -72.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -867.796292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.796292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.796292 (E_RNA) where: Base-Base interactions energy: -549.863 where: short stacking energy: -275.809 Base-Backbone interact. energy: -0.397 local terms energy: -317.537135 where: bonds (distance) C4'-P energy: -59.283 bonds (distance) P-C4' energy: -73.329 flat angles C4'-P-C4' energy: -67.488 flat angles P-C4'-P energy: -53.971 tors. eta vs tors. theta energy: -63.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -828.637772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.637772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.637772 (E_RNA) where: Base-Base interactions energy: -528.293 where: short stacking energy: -247.751 Base-Backbone interact. energy: 0.245 local terms energy: -300.590019 where: bonds (distance) C4'-P energy: -51.116 bonds (distance) P-C4' energy: -68.649 flat angles C4'-P-C4' energy: -72.180 flat angles P-C4'-P energy: -41.502 tors. eta vs tors. theta energy: -67.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -695.089360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.089360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.089360 (E_RNA) where: Base-Base interactions energy: -402.360 where: short stacking energy: -222.940 Base-Backbone interact. energy: -1.512 local terms energy: -291.217050 where: bonds (distance) C4'-P energy: -57.740 bonds (distance) P-C4' energy: -64.661 flat angles C4'-P-C4' energy: -61.903 flat angles P-C4'-P energy: -42.999 tors. eta vs tors. theta energy: -63.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -589.695595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.695595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.695595 (E_RNA) where: Base-Base interactions energy: -357.354 where: short stacking energy: -174.757 Base-Backbone interact. energy: -1.189 local terms energy: -231.152369 where: bonds (distance) C4'-P energy: -47.143 bonds (distance) P-C4' energy: -58.687 flat angles C4'-P-C4' energy: -59.624 flat angles P-C4'-P energy: -33.682 tors. eta vs tors. theta energy: -32.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -568.656527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.656527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.656527 (E_RNA) where: Base-Base interactions energy: -346.677 where: short stacking energy: -173.213 Base-Backbone interact. energy: -0.493 local terms energy: -221.486913 where: bonds (distance) C4'-P energy: -53.053 bonds (distance) P-C4' energy: -65.993 flat angles C4'-P-C4' energy: -58.755 flat angles P-C4'-P energy: -23.641 tors. eta vs tors. theta energy: -20.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -385.961173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.961173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.961173 (E_RNA) where: Base-Base interactions energy: -180.915 where: short stacking energy: -108.304 Base-Backbone interact. energy: 6.055 local terms energy: -211.101404 where: bonds (distance) C4'-P energy: -64.654 bonds (distance) P-C4' energy: -62.457 flat angles C4'-P-C4' energy: -47.612 flat angles P-C4'-P energy: -36.809 tors. eta vs tors. theta energy: 0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1147.349169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.349169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.349169 (E_RNA) where: Base-Base interactions energy: -768.795 where: short stacking energy: -368.097 Base-Backbone interact. energy: -2.518 local terms energy: -376.035473 where: bonds (distance) C4'-P energy: -62.251 bonds (distance) P-C4' energy: -67.568 flat angles C4'-P-C4' energy: -83.003 flat angles P-C4'-P energy: -49.659 tors. eta vs tors. theta energy: -113.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1143.789450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.789450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.789450 (E_RNA) where: Base-Base interactions energy: -766.648 where: short stacking energy: -357.881 Base-Backbone interact. energy: -0.490 local terms energy: -376.651268 where: bonds (distance) C4'-P energy: -72.012 bonds (distance) P-C4' energy: -69.910 flat angles C4'-P-C4' energy: -78.393 flat angles P-C4'-P energy: -48.130 tors. eta vs tors. theta energy: -108.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1068.362838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.362838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.362838 (E_RNA) where: Base-Base interactions energy: -729.433 where: short stacking energy: -342.872 Base-Backbone interact. energy: -0.779 local terms energy: -338.151540 where: bonds (distance) C4'-P energy: -67.404 bonds (distance) P-C4' energy: -60.199 flat angles C4'-P-C4' energy: -70.377 flat angles P-C4'-P energy: -47.266 tors. eta vs tors. theta energy: -92.905 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: 4, replica: 4 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -966.576586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.576586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.576586 (E_RNA) where: Base-Base interactions energy: -654.382 where: short stacking energy: -303.767 Base-Backbone interact. energy: 0.700 local terms energy: -312.895020 where: bonds (distance) C4'-P energy: -62.519 bonds (distance) P-C4' energy: -58.740 flat angles C4'-P-C4' energy: -69.819 flat angles P-C4'-P energy: -43.490 tors. eta vs tors. theta energy: -78.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -852.809849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.809849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.809849 (E_RNA) where: Base-Base interactions energy: -540.086 where: short stacking energy: -255.891 Base-Backbone interact. energy: -0.710 local terms energy: -312.014654 where: bonds (distance) C4'-P energy: -65.263 bonds (distance) P-C4' energy: -65.242 flat angles C4'-P-C4' energy: -67.502 flat angles P-C4'-P energy: -46.098 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: 6, replica: 3 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -844.582519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.582519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.582519 (E_RNA) where: Base-Base interactions energy: -528.767 where: short stacking energy: -244.494 Base-Backbone interact. energy: 4.564 local terms energy: -320.380092 where: bonds (distance) C4'-P energy: -65.297 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -71.976 flat angles P-C4'-P energy: -48.215 tors. eta vs tors. theta energy: -67.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -675.761582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.761582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.761582 (E_RNA) where: Base-Base interactions energy: -409.774 where: short stacking energy: -201.558 Base-Backbone interact. energy: -1.364 local terms energy: -264.624185 where: bonds (distance) C4'-P energy: -54.359 bonds (distance) P-C4' energy: -66.942 flat angles C4'-P-C4' energy: -53.169 flat angles P-C4'-P energy: -41.092 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: 8, replica: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -487.680592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.680592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.680592 (E_RNA) where: Base-Base interactions energy: -255.276 where: short stacking energy: -143.376 Base-Backbone interact. energy: -0.314 local terms energy: -232.090356 where: bonds (distance) C4'-P energy: -57.020 bonds (distance) P-C4' energy: -65.658 flat angles C4'-P-C4' energy: -58.805 flat angles P-C4'-P energy: -42.268 tors. eta vs tors. theta energy: -8.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -533.566739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.566739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.566739 (E_RNA) where: Base-Base interactions energy: -281.574 where: short stacking energy: -147.307 Base-Backbone interact. energy: -1.480 local terms energy: -250.512766 where: bonds (distance) C4'-P energy: -51.064 bonds (distance) P-C4' energy: -71.339 flat angles C4'-P-C4' energy: -66.234 flat angles P-C4'-P energy: -35.677 tors. eta vs tors. theta energy: -26.198 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: 2 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -421.623949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.623949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.623949 (E_RNA) where: Base-Base interactions energy: -224.811 where: short stacking energy: -134.299 Base-Backbone interact. energy: -3.341 local terms energy: -193.471263 where: bonds (distance) C4'-P energy: -51.677 bonds (distance) P-C4' energy: -59.803 flat angles C4'-P-C4' energy: -48.850 flat angles P-C4'-P energy: -13.403 tors. eta vs tors. theta energy: -19.738 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: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1148.478484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.478484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.478484 (E_RNA) where: Base-Base interactions energy: -776.624 where: short stacking energy: -376.755 Base-Backbone interact. energy: -1.830 local terms energy: -370.024156 where: bonds (distance) C4'-P energy: -63.625 bonds (distance) P-C4' energy: -66.312 flat angles C4'-P-C4' energy: -76.802 flat angles P-C4'-P energy: -45.235 tors. eta vs tors. theta energy: -118.051 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: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1147.640445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.640445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.640445 (E_RNA) where: Base-Base interactions energy: -757.782 where: short stacking energy: -349.359 Base-Backbone interact. energy: -0.704 local terms energy: -389.154238 where: bonds (distance) C4'-P energy: -69.908 bonds (distance) P-C4' energy: -68.035 flat angles C4'-P-C4' energy: -82.546 flat angles P-C4'-P energy: -56.294 tors. eta vs tors. theta energy: -112.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1067.702521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.702521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.702521 (E_RNA) where: Base-Base interactions energy: -710.648 where: short stacking energy: -328.482 Base-Backbone interact. energy: -1.602 local terms energy: -355.452573 where: bonds (distance) C4'-P energy: -60.387 bonds (distance) P-C4' energy: -74.103 flat angles C4'-P-C4' energy: -77.253 flat angles P-C4'-P energy: -48.341 tors. eta vs tors. theta energy: -95.368 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: 386 Temperature: 1.050000 Total energy: -980.713056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.713056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.713056 (E_RNA) where: Base-Base interactions energy: -643.323 where: short stacking energy: -293.530 Base-Backbone interact. energy: -0.771 local terms energy: -336.618418 where: bonds (distance) C4'-P energy: -64.723 bonds (distance) P-C4' energy: -67.328 flat angles C4'-P-C4' energy: -71.012 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -87.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -841.838658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.838658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.838658 (E_RNA) where: Base-Base interactions energy: -533.480 where: short stacking energy: -253.254 Base-Backbone interact. energy: -0.989 local terms energy: -307.369662 where: bonds (distance) C4'-P energy: -64.838 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -67.621 flat angles P-C4'-P energy: -44.912 tors. eta vs tors. theta energy: -61.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -819.909094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.909094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.909094 (E_RNA) where: Base-Base interactions energy: -514.862 where: short stacking energy: -243.425 Base-Backbone interact. energy: -1.565 local terms energy: -303.482100 where: bonds (distance) C4'-P energy: -58.331 bonds (distance) P-C4' energy: -62.595 flat angles C4'-P-C4' energy: -70.260 flat angles P-C4'-P energy: -44.672 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: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -659.264806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.264806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.264806 (E_RNA) where: Base-Base interactions energy: -389.325 where: short stacking energy: -179.173 Base-Backbone interact. energy: -0.040 local terms energy: -269.900669 where: bonds (distance) C4'-P energy: -64.035 bonds (distance) P-C4' energy: -62.832 flat angles C4'-P-C4' energy: -63.799 flat angles P-C4'-P energy: -42.988 tors. eta vs tors. theta energy: -36.247 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: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -458.222350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.222350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.222350 (E_RNA) where: Base-Base interactions energy: -226.898 where: short stacking energy: -128.114 Base-Backbone interact. energy: 0.657 local terms energy: -231.980779 where: bonds (distance) C4'-P energy: -65.232 bonds (distance) P-C4' energy: -64.346 flat angles C4'-P-C4' energy: -59.564 flat angles P-C4'-P energy: -40.332 tors. eta vs tors. theta energy: -2.507 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: 386 Temperature: 1.300000 Total energy: -590.439838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.439838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.439838 (E_RNA) where: Base-Base interactions energy: -337.825 where: short stacking energy: -175.179 Base-Backbone interact. energy: -1.207 local terms energy: -251.408647 where: bonds (distance) C4'-P energy: -61.651 bonds (distance) P-C4' energy: -62.859 flat angles C4'-P-C4' energy: -51.687 flat angles P-C4'-P energy: -37.671 tors. eta vs tors. theta energy: -37.541 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: 10, replica: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -393.380700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.380700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.380700 (E_RNA) where: Base-Base interactions energy: -205.321 where: short stacking energy: -124.863 Base-Backbone interact. energy: -1.165 local terms energy: -186.894815 where: bonds (distance) C4'-P energy: -40.856 bonds (distance) P-C4' energy: -53.006 flat angles C4'-P-C4' energy: -45.690 flat angles P-C4'-P energy: -37.257 tors. eta vs tors. theta energy: -10.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1144.582070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.582070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.582070 (E_RNA) where: Base-Base interactions energy: -769.202 where: short stacking energy: -357.606 Base-Backbone interact. energy: -0.835 local terms energy: -374.544934 where: bonds (distance) C4'-P energy: -65.366 bonds (distance) P-C4' energy: -68.654 flat angles C4'-P-C4' energy: -81.717 flat angles P-C4'-P energy: -50.601 tors. eta vs tors. theta energy: -108.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1144.997470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.997470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.997470 (E_RNA) where: Base-Base interactions energy: -770.822 where: short stacking energy: -375.716 Base-Backbone interact. energy: -0.513 local terms energy: -373.662708 where: bonds (distance) C4'-P energy: -71.885 bonds (distance) P-C4' energy: -68.381 flat angles C4'-P-C4' energy: -79.461 flat angles P-C4'-P energy: -44.827 tors. eta vs tors. theta energy: -109.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1075.052058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.052058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.052058 (E_RNA) where: Base-Base interactions energy: -715.165 where: short stacking energy: -320.753 Base-Backbone interact. energy: -0.149 local terms energy: -359.737774 where: bonds (distance) C4'-P energy: -76.279 bonds (distance) P-C4' energy: -72.312 flat angles C4'-P-C4' energy: -70.862 flat angles P-C4'-P energy: -49.237 tors. eta vs tors. theta energy: -91.048 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: 387 Temperature: 1.050000 Total energy: -977.367163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.367163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.367163 (E_RNA) where: Base-Base interactions energy: -660.267 where: short stacking energy: -297.475 Base-Backbone interact. energy: 3.307 local terms energy: -320.406249 where: bonds (distance) C4'-P energy: -51.611 bonds (distance) P-C4' energy: -67.628 flat angles C4'-P-C4' energy: -61.075 flat angles P-C4'-P energy: -53.300 tors. eta vs tors. theta energy: -86.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -828.394815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.394815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.394815 (E_RNA) where: Base-Base interactions energy: -526.514 where: short stacking energy: -237.516 Base-Backbone interact. energy: 0.138 local terms energy: -302.018977 where: bonds (distance) C4'-P energy: -48.411 bonds (distance) P-C4' energy: -66.351 flat angles C4'-P-C4' energy: -72.696 flat angles P-C4'-P energy: -45.335 tors. eta vs tors. theta energy: -69.226 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: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -769.423489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.423489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.423489 (E_RNA) where: Base-Base interactions energy: -479.176 where: short stacking energy: -217.079 Base-Backbone interact. energy: -1.674 local terms energy: -288.573255 where: bonds (distance) C4'-P energy: -51.932 bonds (distance) P-C4' energy: -73.544 flat angles C4'-P-C4' energy: -71.636 flat angles P-C4'-P energy: -35.251 tors. eta vs tors. theta energy: -56.209 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: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -693.852435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.852435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.852435 (E_RNA) where: Base-Base interactions energy: -422.469 where: short stacking energy: -223.969 Base-Backbone interact. energy: -0.220 local terms energy: -271.163387 where: bonds (distance) C4'-P energy: -49.464 bonds (distance) P-C4' energy: -66.711 flat angles C4'-P-C4' energy: -61.520 flat angles P-C4'-P energy: -37.320 tors. eta vs tors. theta energy: -56.149 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: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -645.390994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.390994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.390994 (E_RNA) where: Base-Base interactions energy: -396.393 where: short stacking energy: -192.357 Base-Backbone interact. energy: -0.965 local terms energy: -248.033013 where: bonds (distance) C4'-P energy: -48.225 bonds (distance) P-C4' energy: -56.876 flat angles C4'-P-C4' energy: -71.341 flat angles P-C4'-P energy: -36.282 tors. eta vs tors. theta energy: -35.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -430.819875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.819875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.819875 (E_RNA) where: Base-Base interactions energy: -211.150 where: short stacking energy: -102.642 Base-Backbone interact. energy: -2.173 local terms energy: -217.497186 where: bonds (distance) C4'-P energy: -60.822 bonds (distance) P-C4' energy: -66.999 flat angles C4'-P-C4' energy: -55.164 flat angles P-C4'-P energy: -34.506 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -383.819446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.819446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.819446 (E_RNA) where: Base-Base interactions energy: -173.749 where: short stacking energy: -106.843 Base-Backbone interact. energy: 0.330 local terms energy: -210.400437 where: bonds (distance) C4'-P energy: -60.526 bonds (distance) P-C4' energy: -62.253 flat angles C4'-P-C4' energy: -53.546 flat angles P-C4'-P energy: -32.644 tors. eta vs tors. theta energy: -1.431 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: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1160.645283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.645283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.645283 (E_RNA) where: Base-Base interactions energy: -782.120 where: short stacking energy: -370.407 Base-Backbone interact. energy: -0.711 local terms energy: -377.814810 where: bonds (distance) C4'-P energy: -76.978 bonds (distance) P-C4' energy: -66.120 flat angles C4'-P-C4' energy: -71.167 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -112.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1138.918531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.918531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.918531 (E_RNA) where: Base-Base interactions energy: -767.740 where: short stacking energy: -360.901 Base-Backbone interact. energy: -0.853 local terms energy: -370.325962 where: bonds (distance) C4'-P energy: -64.772 bonds (distance) P-C4' energy: -73.317 flat angles C4'-P-C4' energy: -73.262 flat angles P-C4'-P energy: -51.250 tors. eta vs tors. theta energy: -107.724 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: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1060.957941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.957941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.957941 (E_RNA) where: Base-Base interactions energy: -695.907 where: short stacking energy: -330.566 Base-Backbone interact. energy: 0.426 local terms energy: -365.477065 where: bonds (distance) C4'-P energy: -60.160 bonds (distance) P-C4' energy: -75.426 flat angles C4'-P-C4' energy: -75.138 flat angles P-C4'-P energy: -54.065 tors. eta vs tors. theta energy: -100.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -963.167708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.167708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.167708 (E_RNA) where: Base-Base interactions energy: -635.234 where: short stacking energy: -285.683 Base-Backbone interact. energy: -1.373 local terms energy: -326.560512 where: bonds (distance) C4'-P energy: -54.234 bonds (distance) P-C4' energy: -73.187 flat angles C4'-P-C4' energy: -68.592 flat angles P-C4'-P energy: -50.397 tors. eta vs tors. theta energy: -80.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -827.850253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.850253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.850253 (E_RNA) where: Base-Base interactions energy: -527.752 where: short stacking energy: -273.549 Base-Backbone interact. energy: -1.142 local terms energy: -298.956362 where: bonds (distance) C4'-P energy: -48.911 bonds (distance) P-C4' energy: -66.513 flat angles C4'-P-C4' energy: -69.643 flat angles P-C4'-P energy: -41.893 tors. eta vs tors. theta energy: -71.996 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: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -765.167365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.167365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.167365 (E_RNA) where: Base-Base interactions energy: -479.928 where: short stacking energy: -236.366 Base-Backbone interact. energy: -1.488 local terms energy: -283.751545 where: bonds (distance) C4'-P energy: -48.611 bonds (distance) P-C4' energy: -65.058 flat angles C4'-P-C4' energy: -63.612 flat angles P-C4'-P energy: -45.982 tors. eta vs tors. theta energy: -60.489 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: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -737.657929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.657929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.657929 (E_RNA) where: Base-Base interactions energy: -433.541 where: short stacking energy: -236.796 Base-Backbone interact. energy: -0.704 local terms energy: -303.413195 where: bonds (distance) C4'-P energy: -76.515 bonds (distance) P-C4' energy: -69.105 flat angles C4'-P-C4' energy: -63.461 flat angles P-C4'-P energy: -38.614 tors. eta vs tors. theta energy: -55.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -642.299756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.299756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.299756 (E_RNA) where: Base-Base interactions energy: -388.468 where: short stacking energy: -203.581 Base-Backbone interact. energy: 0.439 local terms energy: -254.270108 where: bonds (distance) C4'-P energy: -61.414 bonds (distance) P-C4' energy: -54.066 flat angles C4'-P-C4' energy: -55.019 flat angles P-C4'-P energy: -35.424 tors. eta vs tors. theta energy: -48.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -464.467262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.467262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.467262 (E_RNA) where: Base-Base interactions energy: -248.663 where: short stacking energy: -144.075 Base-Backbone interact. energy: 0.956 local terms energy: -216.761026 where: bonds (distance) C4'-P energy: -64.762 bonds (distance) P-C4' energy: -43.275 flat angles C4'-P-C4' energy: -46.893 flat angles P-C4'-P energy: -41.152 tors. eta vs tors. theta energy: -20.678 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: 2 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -411.116733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.116733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.116733 (E_RNA) where: Base-Base interactions energy: -182.605 where: short stacking energy: -114.447 Base-Backbone interact. energy: 1.432 local terms energy: -229.943790 where: bonds (distance) C4'-P energy: -56.010 bonds (distance) P-C4' energy: -61.543 flat angles C4'-P-C4' energy: -59.798 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: -11.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1164.215047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.215047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.215047 (E_RNA) where: Base-Base interactions energy: -776.855 where: short stacking energy: -356.746 Base-Backbone interact. energy: -0.207 local terms energy: -387.152873 where: bonds (distance) C4'-P energy: -71.314 bonds (distance) P-C4' energy: -74.717 flat angles C4'-P-C4' energy: -77.917 flat angles P-C4'-P energy: -54.444 tors. eta vs tors. theta energy: -108.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1127.656023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.656023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.656023 (E_RNA) where: Base-Base interactions energy: -765.805 where: short stacking energy: -354.646 Base-Backbone interact. energy: 3.446 local terms energy: -365.297043 where: bonds (distance) C4'-P energy: -64.801 bonds (distance) P-C4' energy: -72.433 flat angles C4'-P-C4' energy: -75.587 flat angles P-C4'-P energy: -47.390 tors. eta vs tors. theta energy: -105.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1069.949052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.949052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.949052 (E_RNA) where: Base-Base interactions energy: -730.559 where: short stacking energy: -356.215 Base-Backbone interact. energy: 0.774 local terms energy: -340.163805 where: bonds (distance) C4'-P energy: -54.457 bonds (distance) P-C4' energy: -63.046 flat angles C4'-P-C4' energy: -70.255 flat angles P-C4'-P energy: -57.127 tors. eta vs tors. theta energy: -95.279 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: 389 Temperature: 1.050000 Total energy: -975.020967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.020967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.020967 (E_RNA) where: Base-Base interactions energy: -645.007 where: short stacking energy: -288.416 Base-Backbone interact. energy: -1.793 local terms energy: -328.220750 where: bonds (distance) C4'-P energy: -69.543 bonds (distance) P-C4' energy: -57.345 flat angles C4'-P-C4' energy: -71.003 flat angles P-C4'-P energy: -44.740 tors. eta vs tors. theta energy: -85.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -800.205570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.205570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.205570 (E_RNA) where: Base-Base interactions energy: -506.310 where: short stacking energy: -238.406 Base-Backbone interact. energy: -0.077 local terms energy: -293.818566 where: bonds (distance) C4'-P energy: -60.643 bonds (distance) P-C4' energy: -58.634 flat angles C4'-P-C4' energy: -62.535 flat angles P-C4'-P energy: -46.073 tors. eta vs tors. theta energy: -65.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -811.062942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.062942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.062942 (E_RNA) where: Base-Base interactions energy: -523.863 where: short stacking energy: -247.466 Base-Backbone interact. energy: -2.523 local terms energy: -284.676712 where: bonds (distance) C4'-P energy: -57.066 bonds (distance) P-C4' energy: -64.637 flat angles C4'-P-C4' energy: -53.263 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -60.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -710.613636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.613636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.613636 (E_RNA) where: Base-Base interactions energy: -455.320 where: short stacking energy: -226.134 Base-Backbone interact. energy: 1.608 local terms energy: -256.901446 where: bonds (distance) C4'-P energy: -55.951 bonds (distance) P-C4' energy: -48.232 flat angles C4'-P-C4' energy: -66.058 flat angles P-C4'-P energy: -35.088 tors. eta vs tors. theta energy: -51.571 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: 389 Temperature: 1.250000 Total energy: -621.735895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.735895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.735895 (E_RNA) where: Base-Base interactions energy: -359.276 where: short stacking energy: -186.979 Base-Backbone interact. energy: -2.045 local terms energy: -260.414534 where: bonds (distance) C4'-P energy: -64.804 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -60.507 flat angles P-C4'-P energy: -31.606 tors. eta vs tors. theta energy: -39.531 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: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -494.556583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.556583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.556583 (E_RNA) where: Base-Base interactions energy: -276.070 where: short stacking energy: -131.376 Base-Backbone interact. energy: -0.720 local terms energy: -217.765960 where: bonds (distance) C4'-P energy: -53.880 bonds (distance) P-C4' energy: -70.065 flat angles C4'-P-C4' energy: -54.739 flat angles P-C4'-P energy: -25.778 tors. eta vs tors. theta energy: -13.303 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: 10, replica: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -391.079416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.079416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.079416 (E_RNA) where: Base-Base interactions energy: -177.425 where: short stacking energy: -108.455 Base-Backbone interact. energy: -0.345 local terms energy: -213.308891 where: bonds (distance) C4'-P energy: -59.741 bonds (distance) P-C4' energy: -61.302 flat angles C4'-P-C4' energy: -59.968 flat angles P-C4'-P energy: -28.294 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1171.730340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.730340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.730340 (E_RNA) where: Base-Base interactions energy: -789.914 where: short stacking energy: -381.229 Base-Backbone interact. energy: -1.224 local terms energy: -380.592015 where: bonds (distance) C4'-P energy: -75.325 bonds (distance) P-C4' energy: -72.097 flat angles C4'-P-C4' energy: -76.719 flat angles P-C4'-P energy: -50.454 tors. eta vs tors. theta energy: -105.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1151.295037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.295037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.295037 (E_RNA) where: Base-Base interactions energy: -774.386 where: short stacking energy: -373.067 Base-Backbone interact. energy: -1.760 local terms energy: -375.149072 where: bonds (distance) C4'-P energy: -67.046 bonds (distance) P-C4' energy: -69.235 flat angles C4'-P-C4' energy: -68.764 flat angles P-C4'-P energy: -56.761 tors. eta vs tors. theta energy: -113.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1099.012130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.012130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.012130 (E_RNA) where: Base-Base interactions energy: -738.362 where: short stacking energy: -339.338 Base-Backbone interact. energy: 0.487 local terms energy: -361.136813 where: bonds (distance) C4'-P energy: -67.302 bonds (distance) P-C4' energy: -70.022 flat angles C4'-P-C4' energy: -71.607 flat angles P-C4'-P energy: -48.348 tors. eta vs tors. theta energy: -103.857 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: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -965.299631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.299631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.299631 (E_RNA) where: Base-Base interactions energy: -629.744 where: short stacking energy: -276.053 Base-Backbone interact. energy: -0.834 local terms energy: -334.721144 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -72.861 flat angles C4'-P-C4' energy: -73.361 flat angles P-C4'-P energy: -54.363 tors. eta vs tors. theta energy: -76.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -807.147121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.147121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.147121 (E_RNA) where: Base-Base interactions energy: -517.591 where: short stacking energy: -237.834 Base-Backbone interact. energy: -0.940 local terms energy: -288.616195 where: bonds (distance) C4'-P energy: -61.164 bonds (distance) P-C4' energy: -60.151 flat angles C4'-P-C4' energy: -62.274 flat angles P-C4'-P energy: -40.822 tors. eta vs tors. theta energy: -64.205 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: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -797.243126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.243126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.243126 (E_RNA) where: Base-Base interactions energy: -531.350 where: short stacking energy: -243.414 Base-Backbone interact. energy: 1.980 local terms energy: -267.873027 where: bonds (distance) C4'-P energy: -61.487 bonds (distance) P-C4' energy: -53.777 flat angles C4'-P-C4' energy: -65.138 flat angles P-C4'-P energy: -35.013 tors. eta vs tors. theta energy: -52.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -711.906848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.906848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.906848 (E_RNA) where: Base-Base interactions energy: -430.088 where: short stacking energy: -212.938 Base-Backbone interact. energy: -2.595 local terms energy: -279.224503 where: bonds (distance) C4'-P energy: -56.570 bonds (distance) P-C4' energy: -61.126 flat angles C4'-P-C4' energy: -70.016 flat angles P-C4'-P energy: -34.535 tors. eta vs tors. theta energy: -56.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -552.501485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.501485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.501485 (E_RNA) where: Base-Base interactions energy: -297.380 where: short stacking energy: -146.847 Base-Backbone interact. energy: -0.541 local terms energy: -254.580334 where: bonds (distance) C4'-P energy: -70.872 bonds (distance) P-C4' energy: -55.227 flat angles C4'-P-C4' energy: -69.102 flat angles P-C4'-P energy: -38.627 tors. eta vs tors. theta energy: -20.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -478.621955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.621955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.621955 (E_RNA) where: Base-Base interactions energy: -251.814 where: short stacking energy: -137.512 Base-Backbone interact. energy: -1.265 local terms energy: -225.543316 where: bonds (distance) C4'-P energy: -58.615 bonds (distance) P-C4' energy: -50.967 flat angles C4'-P-C4' energy: -62.460 flat angles P-C4'-P energy: -32.770 tors. eta vs tors. theta energy: -20.732 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: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -401.291464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.291464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.291464 (E_RNA) where: Base-Base interactions energy: -211.077 where: short stacking energy: -120.512 Base-Backbone interact. energy: 2.392 local terms energy: -192.606731 where: bonds (distance) C4'-P energy: -45.329 bonds (distance) P-C4' energy: -65.010 flat angles C4'-P-C4' energy: -49.674 flat angles P-C4'-P energy: -33.240 tors. eta vs tors. theta energy: 0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1153.132789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.132789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.132789 (E_RNA) where: Base-Base interactions energy: -774.845 where: short stacking energy: -379.010 Base-Backbone interact. energy: -0.858 local terms energy: -377.430260 where: bonds (distance) C4'-P energy: -71.009 bonds (distance) P-C4' energy: -62.237 flat angles C4'-P-C4' energy: -79.650 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -113.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1161.537223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.537223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.537223 (E_RNA) where: Base-Base interactions energy: -772.326 where: short stacking energy: -371.544 Base-Backbone interact. energy: -0.609 local terms energy: -388.602836 where: bonds (distance) C4'-P energy: -71.837 bonds (distance) P-C4' energy: -72.097 flat angles C4'-P-C4' energy: -71.998 flat angles P-C4'-P energy: -57.161 tors. eta vs tors. theta energy: -115.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1049.350577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.350577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.350577 (E_RNA) where: Base-Base interactions energy: -707.243 where: short stacking energy: -339.551 Base-Backbone interact. energy: -1.631 local terms energy: -340.476139 where: bonds (distance) C4'-P energy: -62.910 bonds (distance) P-C4' energy: -68.226 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -41.300 tors. eta vs tors. theta energy: -92.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -975.329008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.329008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.329008 (E_RNA) where: Base-Base interactions energy: -634.614 where: short stacking energy: -303.408 Base-Backbone interact. energy: 0.262 local terms energy: -340.976424 where: bonds (distance) C4'-P energy: -58.841 bonds (distance) P-C4' energy: -73.223 flat angles C4'-P-C4' energy: -73.797 flat angles P-C4'-P energy: -54.191 tors. eta vs tors. theta energy: -80.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -783.323831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.323831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.323831 (E_RNA) where: Base-Base interactions energy: -478.313 where: short stacking energy: -235.473 Base-Backbone interact. energy: -0.868 local terms energy: -304.143084 where: bonds (distance) C4'-P energy: -66.028 bonds (distance) P-C4' energy: -61.470 flat angles C4'-P-C4' energy: -67.099 flat angles P-C4'-P energy: -51.516 tors. eta vs tors. theta energy: -58.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -787.282647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.282647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.282647 (E_RNA) where: Base-Base interactions energy: -508.843 where: short stacking energy: -223.717 Base-Backbone interact. energy: 2.899 local terms energy: -281.338029 where: bonds (distance) C4'-P energy: -48.191 bonds (distance) P-C4' energy: -67.417 flat angles C4'-P-C4' energy: -71.972 flat angles P-C4'-P energy: -43.853 tors. eta vs tors. theta energy: -49.905 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: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -719.030561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.030561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.030561 (E_RNA) where: Base-Base interactions energy: -449.551 where: short stacking energy: -235.725 Base-Backbone interact. energy: 0.637 local terms energy: -270.116361 where: bonds (distance) C4'-P energy: -58.444 bonds (distance) P-C4' energy: -60.367 flat angles C4'-P-C4' energy: -58.316 flat angles P-C4'-P energy: -43.185 tors. eta vs tors. theta energy: -49.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -596.790522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.790522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.790522 (E_RNA) where: Base-Base interactions energy: -349.221 where: short stacking energy: -165.947 Base-Backbone interact. energy: -1.275 local terms energy: -246.294468 where: bonds (distance) C4'-P energy: -61.993 bonds (distance) P-C4' energy: -48.668 flat angles C4'-P-C4' energy: -61.296 flat angles P-C4'-P energy: -48.172 tors. eta vs tors. theta energy: -26.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -496.159982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.159982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.159982 (E_RNA) where: Base-Base interactions energy: -265.111 where: short stacking energy: -116.223 Base-Backbone interact. energy: 0.295 local terms energy: -231.343724 where: bonds (distance) C4'-P energy: -58.731 bonds (distance) P-C4' energy: -66.898 flat angles C4'-P-C4' energy: -55.194 flat angles P-C4'-P energy: -31.800 tors. eta vs tors. theta energy: -18.720 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: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -376.080998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.080998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.080998 (E_RNA) where: Base-Base interactions energy: -174.843 where: short stacking energy: -97.506 Base-Backbone interact. energy: -1.166 local terms energy: -200.071730 where: bonds (distance) C4'-P energy: -48.805 bonds (distance) P-C4' energy: -70.622 flat angles C4'-P-C4' energy: -58.955 flat angles P-C4'-P energy: -25.631 tors. eta vs tors. theta energy: 3.940 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: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1176.567577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.567577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.567577 (E_RNA) where: Base-Base interactions energy: -786.770 where: short stacking energy: -374.807 Base-Backbone interact. energy: -0.710 local terms energy: -389.087654 where: bonds (distance) C4'-P energy: -65.478 bonds (distance) P-C4' energy: -71.704 flat angles C4'-P-C4' energy: -82.326 flat angles P-C4'-P energy: -60.955 tors. eta vs tors. theta energy: -108.624 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: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1139.774562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.774562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.774562 (E_RNA) where: Base-Base interactions energy: -764.896 where: short stacking energy: -360.400 Base-Backbone interact. energy: -0.812 local terms energy: -374.066604 where: bonds (distance) C4'-P energy: -67.472 bonds (distance) P-C4' energy: -67.114 flat angles C4'-P-C4' energy: -78.726 flat angles P-C4'-P energy: -50.335 tors. eta vs tors. theta energy: -110.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1082.800457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.800457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.800457 (E_RNA) where: Base-Base interactions energy: -732.052 where: short stacking energy: -350.735 Base-Backbone interact. energy: 0.208 local terms energy: -350.956338 where: bonds (distance) C4'-P energy: -65.289 bonds (distance) P-C4' energy: -66.324 flat angles C4'-P-C4' energy: -77.294 flat angles P-C4'-P energy: -40.400 tors. eta vs tors. theta energy: -101.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -965.729431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.729431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.729431 (E_RNA) where: Base-Base interactions energy: -642.191 where: short stacking energy: -287.700 Base-Backbone interact. energy: -1.319 local terms energy: -322.220003 where: bonds (distance) C4'-P energy: -63.851 bonds (distance) P-C4' energy: -58.203 flat angles C4'-P-C4' energy: -72.857 flat angles P-C4'-P energy: -42.909 tors. eta vs tors. theta energy: -84.400 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: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -786.795020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.795020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.795020 (E_RNA) where: Base-Base interactions energy: -504.030 where: short stacking energy: -247.443 Base-Backbone interact. energy: 0.033 local terms energy: -282.797725 where: bonds (distance) C4'-P energy: -58.542 bonds (distance) P-C4' energy: -59.867 flat angles C4'-P-C4' energy: -72.779 flat angles P-C4'-P energy: -34.348 tors. eta vs tors. theta energy: -57.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -797.029365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.029365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.029365 (E_RNA) where: Base-Base interactions energy: -512.149 where: short stacking energy: -247.181 Base-Backbone interact. energy: -0.751 local terms energy: -284.129498 where: bonds (distance) C4'-P energy: -62.678 bonds (distance) P-C4' energy: -58.741 flat angles C4'-P-C4' energy: -54.421 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -60.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -694.010987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.010987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.010987 (E_RNA) where: Base-Base interactions energy: -431.821 where: short stacking energy: -214.263 Base-Backbone interact. energy: -0.713 local terms energy: -261.477243 where: bonds (distance) C4'-P energy: -59.440 bonds (distance) P-C4' energy: -58.339 flat angles C4'-P-C4' energy: -52.475 flat angles P-C4'-P energy: -35.189 tors. eta vs tors. theta energy: -56.034 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: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -587.440364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.440364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.440364 (E_RNA) where: Base-Base interactions energy: -345.631 where: short stacking energy: -177.149 Base-Backbone interact. energy: 0.365 local terms energy: -242.174352 where: bonds (distance) C4'-P energy: -60.445 bonds (distance) P-C4' energy: -61.476 flat angles C4'-P-C4' energy: -52.005 flat angles P-C4'-P energy: -34.373 tors. eta vs tors. theta energy: -33.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -507.038201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.038201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.038201 (E_RNA) where: Base-Base interactions energy: -297.109 where: short stacking energy: -147.516 Base-Backbone interact. energy: -0.622 local terms energy: -209.307523 where: bonds (distance) C4'-P energy: -51.919 bonds (distance) P-C4' energy: -59.341 flat angles C4'-P-C4' energy: -52.489 flat angles P-C4'-P energy: -25.570 tors. eta vs tors. theta energy: -19.988 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: 2 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -397.789745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.789745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.789745 (E_RNA) where: Base-Base interactions energy: -206.591 where: short stacking energy: -134.080 Base-Backbone interact. energy: -0.026 local terms energy: -191.172487 where: bonds (distance) C4'-P energy: -39.200 bonds (distance) P-C4' energy: -49.322 flat angles C4'-P-C4' energy: -52.509 flat angles P-C4'-P energy: -29.541 tors. eta vs tors. theta energy: -20.600 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: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1173.372146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.372146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.372146 (E_RNA) where: Base-Base interactions energy: -786.807 where: short stacking energy: -385.432 Base-Backbone interact. energy: -0.141 local terms energy: -386.424565 where: bonds (distance) C4'-P energy: -66.000 bonds (distance) P-C4' energy: -72.326 flat angles C4'-P-C4' energy: -76.012 flat angles P-C4'-P energy: -58.010 tors. eta vs tors. theta energy: -114.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1116.114341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.114341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.114341 (E_RNA) where: Base-Base interactions energy: -752.914 where: short stacking energy: -350.593 Base-Backbone interact. energy: -1.069 local terms energy: -362.131784 where: bonds (distance) C4'-P energy: -54.455 bonds (distance) P-C4' energy: -75.988 flat angles C4'-P-C4' energy: -78.449 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -107.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1084.877650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.877650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.877650 (E_RNA) where: Base-Base interactions energy: -734.172 where: short stacking energy: -335.198 Base-Backbone interact. energy: 1.800 local terms energy: -352.506286 where: bonds (distance) C4'-P energy: -54.969 bonds (distance) P-C4' energy: -69.608 flat angles C4'-P-C4' energy: -81.722 flat angles P-C4'-P energy: -44.648 tors. eta vs tors. theta energy: -101.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -978.890381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.890381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.890381 (E_RNA) where: Base-Base interactions energy: -644.236 where: short stacking energy: -289.019 Base-Backbone interact. energy: -0.306 local terms energy: -334.347594 where: bonds (distance) C4'-P energy: -59.896 bonds (distance) P-C4' energy: -70.919 flat angles C4'-P-C4' energy: -73.396 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: -83.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -824.048083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.048083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.048083 (E_RNA) where: Base-Base interactions energy: -517.940 where: short stacking energy: -245.771 Base-Backbone interact. energy: 0.003 local terms energy: -306.111133 where: bonds (distance) C4'-P energy: -59.534 bonds (distance) P-C4' energy: -61.571 flat angles C4'-P-C4' energy: -68.242 flat angles P-C4'-P energy: -43.185 tors. eta vs tors. theta energy: -73.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -809.157355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.157355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.157355 (E_RNA) where: Base-Base interactions energy: -527.355 where: short stacking energy: -259.079 Base-Backbone interact. energy: -1.078 local terms energy: -280.723943 where: bonds (distance) C4'-P energy: -66.493 bonds (distance) P-C4' energy: -58.845 flat angles C4'-P-C4' energy: -73.869 flat angles P-C4'-P energy: -22.256 tors. eta vs tors. theta energy: -59.261 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: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -702.067552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.067552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.067552 (E_RNA) where: Base-Base interactions energy: -454.309 where: short stacking energy: -231.221 Base-Backbone interact. energy: -0.804 local terms energy: -246.954716 where: bonds (distance) C4'-P energy: -46.500 bonds (distance) P-C4' energy: -47.913 flat angles C4'-P-C4' energy: -55.698 flat angles P-C4'-P energy: -42.844 tors. eta vs tors. theta energy: -54.000 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: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -602.831000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.831000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.831000 (E_RNA) where: Base-Base interactions energy: -356.385 where: short stacking energy: -170.004 Base-Backbone interact. energy: 3.165 local terms energy: -249.610959 where: bonds (distance) C4'-P energy: -68.180 bonds (distance) P-C4' energy: -54.501 flat angles C4'-P-C4' energy: -60.365 flat angles P-C4'-P energy: -35.778 tors. eta vs tors. theta energy: -30.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -476.258053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.258053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.258053 (E_RNA) where: Base-Base interactions energy: -250.191 where: short stacking energy: -146.152 Base-Backbone interact. energy: 0.142 local terms energy: -226.208274 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -65.059 flat angles C4'-P-C4' energy: -53.589 flat angles P-C4'-P energy: -30.180 tors. eta vs tors. theta energy: -20.782 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: 10, replica: 2 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -427.148635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.148635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.148635 (E_RNA) where: Base-Base interactions energy: -228.839 where: short stacking energy: -141.221 Base-Backbone interact. energy: 4.910 local terms energy: -203.219485 where: bonds (distance) C4'-P energy: -50.442 bonds (distance) P-C4' energy: -55.763 flat angles C4'-P-C4' energy: -47.061 flat angles P-C4'-P energy: -32.690 tors. eta vs tors. theta energy: -17.263 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: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1176.372252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.372252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.372252 (E_RNA) where: Base-Base interactions energy: -784.016 where: short stacking energy: -378.523 Base-Backbone interact. energy: -0.627 local terms energy: -391.729399 where: bonds (distance) C4'-P energy: -73.362 bonds (distance) P-C4' energy: -69.755 flat angles C4'-P-C4' energy: -80.256 flat angles P-C4'-P energy: -50.541 tors. eta vs tors. theta energy: -117.815 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: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1128.714339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.714339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.714339 (E_RNA) where: Base-Base interactions energy: -759.075 where: short stacking energy: -349.662 Base-Backbone interact. energy: -0.940 local terms energy: -368.699148 where: bonds (distance) C4'-P energy: -69.189 bonds (distance) P-C4' energy: -65.654 flat angles C4'-P-C4' energy: -68.590 flat angles P-C4'-P energy: -56.546 tors. eta vs tors. theta energy: -108.720 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: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1085.621055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.621055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.621055 (E_RNA) where: Base-Base interactions energy: -722.309 where: short stacking energy: -338.097 Base-Backbone interact. energy: -0.304 local terms energy: -363.008642 where: bonds (distance) C4'-P energy: -67.003 bonds (distance) P-C4' energy: -76.937 flat angles C4'-P-C4' energy: -77.343 flat angles P-C4'-P energy: -47.548 tors. eta vs tors. theta energy: -94.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -998.026865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.026865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.026865 (E_RNA) where: Base-Base interactions energy: -658.122 where: short stacking energy: -321.993 Base-Backbone interact. energy: -0.432 local terms energy: -339.473104 where: bonds (distance) C4'-P energy: -64.447 bonds (distance) P-C4' energy: -61.570 flat angles C4'-P-C4' energy: -76.841 flat angles P-C4'-P energy: -55.780 tors. eta vs tors. theta energy: -80.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -821.796730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.796730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.796730 (E_RNA) where: Base-Base interactions energy: -522.859 where: short stacking energy: -261.893 Base-Backbone interact. energy: -0.216 local terms energy: -298.721707 where: bonds (distance) C4'-P energy: -51.209 bonds (distance) P-C4' energy: -60.328 flat angles C4'-P-C4' energy: -68.854 flat angles P-C4'-P energy: -47.338 tors. eta vs tors. theta energy: -70.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -814.543467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.543467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.543467 (E_RNA) where: Base-Base interactions energy: -522.704 where: short stacking energy: -261.901 Base-Backbone interact. energy: -0.810 local terms energy: -291.029721 where: bonds (distance) C4'-P energy: -56.359 bonds (distance) P-C4' energy: -70.048 flat angles C4'-P-C4' energy: -59.481 flat angles P-C4'-P energy: -42.667 tors. eta vs tors. theta energy: -62.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -674.735249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.735249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.735249 (E_RNA) where: Base-Base interactions energy: -412.422 where: short stacking energy: -211.692 Base-Backbone interact. energy: -0.659 local terms energy: -261.654564 where: bonds (distance) C4'-P energy: -59.996 bonds (distance) P-C4' energy: -63.257 flat angles C4'-P-C4' energy: -53.182 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: -39.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -591.766561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.766561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.766561 (E_RNA) where: Base-Base interactions energy: -363.047 where: short stacking energy: -168.577 Base-Backbone interact. energy: -0.245 local terms energy: -228.474380 where: bonds (distance) C4'-P energy: -50.112 bonds (distance) P-C4' energy: -65.735 flat angles C4'-P-C4' energy: -50.541 flat angles P-C4'-P energy: -28.928 tors. eta vs tors. theta energy: -33.158 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: 394 Temperature: 1.300000 Total energy: -436.996741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.996741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.996741 (E_RNA) where: Base-Base interactions energy: -230.874 where: short stacking energy: -139.954 Base-Backbone interact. energy: -0.919 local terms energy: -205.203828 where: bonds (distance) C4'-P energy: -56.588 bonds (distance) P-C4' energy: -62.519 flat angles C4'-P-C4' energy: -48.528 flat angles P-C4'-P energy: -17.187 tors. eta vs tors. theta energy: -20.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -426.686409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.686409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.686409 (E_RNA) where: Base-Base interactions energy: -221.689 where: short stacking energy: -123.872 Base-Backbone interact. energy: 0.582 local terms energy: -205.578725 where: bonds (distance) C4'-P energy: -58.318 bonds (distance) P-C4' energy: -62.543 flat angles C4'-P-C4' energy: -59.273 flat angles P-C4'-P energy: -18.654 tors. eta vs tors. theta energy: -6.790 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: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1175.329248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.329248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.329248 (E_RNA) where: Base-Base interactions energy: -789.168 where: short stacking energy: -372.227 Base-Backbone interact. energy: -0.676 local terms energy: -385.484643 where: bonds (distance) C4'-P energy: -71.814 bonds (distance) P-C4' energy: -73.669 flat angles C4'-P-C4' energy: -77.934 flat angles P-C4'-P energy: -52.041 tors. eta vs tors. theta energy: -110.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1077.216738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.216738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.216738 (E_RNA) where: Base-Base interactions energy: -710.918 where: short stacking energy: -340.248 Base-Backbone interact. energy: -1.115 local terms energy: -365.183227 where: bonds (distance) C4'-P energy: -65.545 bonds (distance) P-C4' energy: -77.697 flat angles C4'-P-C4' energy: -76.258 flat angles P-C4'-P energy: -46.834 tors. eta vs tors. theta energy: -98.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1077.020186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.020186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.020186 (E_RNA) where: Base-Base interactions energy: -705.258 where: short stacking energy: -335.351 Base-Backbone interact. energy: 1.321 local terms energy: -373.083577 where: bonds (distance) C4'-P energy: -75.871 bonds (distance) P-C4' energy: -68.645 flat angles C4'-P-C4' energy: -77.029 flat angles P-C4'-P energy: -51.825 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: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -978.312345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.312345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.312345 (E_RNA) where: Base-Base interactions energy: -651.933 where: short stacking energy: -298.374 Base-Backbone interact. energy: 2.250 local terms energy: -328.629544 where: bonds (distance) C4'-P energy: -58.696 bonds (distance) P-C4' energy: -59.248 flat angles C4'-P-C4' energy: -81.173 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: -85.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -841.401464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.401464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.401464 (E_RNA) where: Base-Base interactions energy: -536.672 where: short stacking energy: -265.138 Base-Backbone interact. energy: -0.001 local terms energy: -304.728665 where: bonds (distance) C4'-P energy: -59.715 bonds (distance) P-C4' energy: -62.608 flat angles C4'-P-C4' energy: -54.743 flat angles P-C4'-P energy: -51.861 tors. eta vs tors. theta energy: -75.802 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: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -827.187692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.187692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.187692 (E_RNA) where: Base-Base interactions energy: -522.597 where: short stacking energy: -257.204 Base-Backbone interact. energy: 0.065 local terms energy: -304.654835 where: bonds (distance) C4'-P energy: -69.035 bonds (distance) P-C4' energy: -65.419 flat angles C4'-P-C4' energy: -62.399 flat angles P-C4'-P energy: -34.025 tors. eta vs tors. theta energy: -73.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -657.683945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.683945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.683945 (E_RNA) where: Base-Base interactions energy: -409.043 where: short stacking energy: -224.887 Base-Backbone interact. energy: 0.434 local terms energy: -249.074767 where: bonds (distance) C4'-P energy: -53.071 bonds (distance) P-C4' energy: -54.926 flat angles C4'-P-C4' energy: -60.161 flat angles P-C4'-P energy: -28.432 tors. eta vs tors. theta energy: -52.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -646.090632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.090632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.090632 (E_RNA) where: Base-Base interactions energy: -385.313 where: short stacking energy: -175.473 Base-Backbone interact. energy: -0.943 local terms energy: -259.834042 where: bonds (distance) C4'-P energy: -57.117 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -53.258 flat angles P-C4'-P energy: -47.111 tors. eta vs tors. theta energy: -44.932 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: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -448.370906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.370906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.370906 (E_RNA) where: Base-Base interactions energy: -216.993 where: short stacking energy: -116.506 Base-Backbone interact. energy: 0.306 local terms energy: -231.683126 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -60.878 flat angles C4'-P-C4' energy: -51.446 flat angles P-C4'-P energy: -42.610 tors. eta vs tors. theta energy: -15.378 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: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -385.543750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.543750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.543750 (E_RNA) where: Base-Base interactions energy: -189.504 where: short stacking energy: -105.628 Base-Backbone interact. energy: 0.375 local terms energy: -196.413921 where: bonds (distance) C4'-P energy: -52.286 bonds (distance) P-C4' energy: -52.299 flat angles C4'-P-C4' energy: -65.662 flat angles P-C4'-P energy: -16.839 tors. eta vs tors. theta energy: -9.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1178.520929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.520929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.520929 (E_RNA) where: Base-Base interactions energy: -796.098 where: short stacking energy: -366.326 Base-Backbone interact. energy: -0.014 local terms energy: -382.409893 where: bonds (distance) C4'-P energy: -71.537 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -77.167 flat angles P-C4'-P energy: -57.631 tors. eta vs tors. theta energy: -107.402 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: 396 Temperature: 0.950000 Total energy: -1106.418049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.418049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.418049 (E_RNA) where: Base-Base interactions energy: -745.789 where: short stacking energy: -344.319 Base-Backbone interact. energy: 0.619 local terms energy: -361.248555 where: bonds (distance) C4'-P energy: -55.311 bonds (distance) P-C4' energy: -73.735 flat angles C4'-P-C4' energy: -84.475 flat angles P-C4'-P energy: -49.150 tors. eta vs tors. theta energy: -98.578 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: 10 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1088.984855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.984855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.984855 (E_RNA) where: Base-Base interactions energy: -722.679 where: short stacking energy: -336.505 Base-Backbone interact. energy: -1.565 local terms energy: -364.740893 where: bonds (distance) C4'-P energy: -73.846 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -79.040 flat angles P-C4'-P energy: -48.043 tors. eta vs tors. theta energy: -96.044 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: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -977.700419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.700419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.700419 (E_RNA) where: Base-Base interactions energy: -668.943 where: short stacking energy: -329.962 Base-Backbone interact. energy: -1.715 local terms energy: -307.042247 where: bonds (distance) C4'-P energy: -47.326 bonds (distance) P-C4' energy: -66.603 flat angles C4'-P-C4' energy: -71.306 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -83.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -870.628805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.628805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.628805 (E_RNA) where: Base-Base interactions energy: -554.049 where: short stacking energy: -291.442 Base-Backbone interact. energy: -0.201 local terms energy: -316.379738 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -58.870 flat angles C4'-P-C4' energy: -65.388 flat angles P-C4'-P energy: -46.553 tors. eta vs tors. theta energy: -84.532 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: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -801.797576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.797576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.797576 (E_RNA) where: Base-Base interactions energy: -502.377 where: short stacking energy: -246.857 Base-Backbone interact. energy: 2.876 local terms energy: -302.297063 where: bonds (distance) C4'-P energy: -51.805 bonds (distance) P-C4' energy: -74.885 flat angles C4'-P-C4' energy: -69.338 flat angles P-C4'-P energy: -49.770 tors. eta vs tors. theta energy: -56.500 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: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -642.480617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.480617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.480617 (E_RNA) where: Base-Base interactions energy: -410.466 where: short stacking energy: -197.769 Base-Backbone interact. energy: -2.147 local terms energy: -229.867413 where: bonds (distance) C4'-P energy: -52.045 bonds (distance) P-C4' energy: -57.041 flat angles C4'-P-C4' energy: -45.324 flat angles P-C4'-P energy: -38.032 tors. eta vs tors. theta energy: -37.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -653.507105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.507105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.507105 (E_RNA) where: Base-Base interactions energy: -395.642 where: short stacking energy: -212.637 Base-Backbone interact. energy: -0.223 local terms energy: -257.642736 where: bonds (distance) C4'-P energy: -49.972 bonds (distance) P-C4' energy: -65.298 flat angles C4'-P-C4' energy: -52.996 flat angles P-C4'-P energy: -39.572 tors. eta vs tors. theta energy: -49.805 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: 9, replica: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -482.009395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.009395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.009395 (E_RNA) where: Base-Base interactions energy: -258.293 where: short stacking energy: -143.260 Base-Backbone interact. energy: -1.761 local terms energy: -221.955412 where: bonds (distance) C4'-P energy: -58.701 bonds (distance) P-C4' energy: -59.374 flat angles C4'-P-C4' energy: -50.528 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -437.110349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.110349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.110349 (E_RNA) where: Base-Base interactions energy: -226.399 where: short stacking energy: -116.630 Base-Backbone interact. energy: -1.607 local terms energy: -209.103974 where: bonds (distance) C4'-P energy: -63.333 bonds (distance) P-C4' energy: -58.035 flat angles C4'-P-C4' energy: -40.558 flat angles P-C4'-P energy: -36.545 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: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1169.695699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.695699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.695699 (E_RNA) where: Base-Base interactions energy: -782.951 where: short stacking energy: -374.016 Base-Backbone interact. energy: 1.759 local terms energy: -388.503427 where: bonds (distance) C4'-P energy: -67.930 bonds (distance) P-C4' energy: -67.979 flat angles C4'-P-C4' energy: -86.381 flat angles P-C4'-P energy: -53.044 tors. eta vs tors. theta energy: -113.170 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: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1146.241215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.241215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.241215 (E_RNA) where: Base-Base interactions energy: -767.770 where: short stacking energy: -354.569 Base-Backbone interact. energy: 0.248 local terms energy: -378.719215 where: bonds (distance) C4'-P energy: -65.929 bonds (distance) P-C4' energy: -81.067 flat angles C4'-P-C4' energy: -74.719 flat angles P-C4'-P energy: -52.123 tors. eta vs tors. theta energy: -104.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1079.140754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.140754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.140754 (E_RNA) where: Base-Base interactions energy: -734.622 where: short stacking energy: -338.812 Base-Backbone interact. energy: -0.850 local terms energy: -343.668218 where: bonds (distance) C4'-P energy: -57.407 bonds (distance) P-C4' energy: -66.846 flat angles C4'-P-C4' energy: -74.723 flat angles P-C4'-P energy: -48.364 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: 397 Temperature: 1.050000 Total energy: -979.418658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.418658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.418658 (E_RNA) where: Base-Base interactions energy: -652.023 where: short stacking energy: -303.973 Base-Backbone interact. energy: -0.525 local terms energy: -326.870373 where: bonds (distance) C4'-P energy: -58.351 bonds (distance) P-C4' energy: -68.701 flat angles C4'-P-C4' energy: -71.744 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -78.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -871.757283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.757283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.757283 (E_RNA) where: Base-Base interactions energy: -563.310 where: short stacking energy: -281.020 Base-Backbone interact. energy: -0.748 local terms energy: -307.698504 where: bonds (distance) C4'-P energy: -65.868 bonds (distance) P-C4' energy: -49.285 flat angles C4'-P-C4' energy: -64.413 flat angles P-C4'-P energy: -51.878 tors. eta vs tors. theta energy: -76.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -772.573162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.573162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.573162 (E_RNA) where: Base-Base interactions energy: -485.953 where: short stacking energy: -241.603 Base-Backbone interact. energy: 0.864 local terms energy: -287.484190 where: bonds (distance) C4'-P energy: -52.051 bonds (distance) P-C4' energy: -66.970 flat angles C4'-P-C4' energy: -65.215 flat angles P-C4'-P energy: -38.757 tors. eta vs tors. theta energy: -64.491 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: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -696.291060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.291060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.291060 (E_RNA) where: Base-Base interactions energy: -416.497 where: short stacking energy: -210.947 Base-Backbone interact. energy: -1.141 local terms energy: -278.653253 where: bonds (distance) C4'-P energy: -59.671 bonds (distance) P-C4' energy: -64.500 flat angles C4'-P-C4' energy: -60.036 flat angles P-C4'-P energy: -45.667 tors. eta vs tors. theta energy: -48.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -554.154000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.154000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.154000 (E_RNA) where: Base-Base interactions energy: -312.380 where: short stacking energy: -167.007 Base-Backbone interact. energy: -2.325 local terms energy: -239.449311 where: bonds (distance) C4'-P energy: -46.547 bonds (distance) P-C4' energy: -58.184 flat angles C4'-P-C4' energy: -64.093 flat angles P-C4'-P energy: -50.524 tors. eta vs tors. theta energy: -20.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -444.615971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.615971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.615971 (E_RNA) where: Base-Base interactions energy: -219.488 where: short stacking energy: -125.921 Base-Backbone interact. energy: -0.793 local terms energy: -224.334517 where: bonds (distance) C4'-P energy: -57.285 bonds (distance) P-C4' energy: -63.946 flat angles C4'-P-C4' energy: -45.451 flat angles P-C4'-P energy: -43.729 tors. eta vs tors. theta energy: -13.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -430.919956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.919956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.919956 (E_RNA) where: Base-Base interactions energy: -224.833 where: short stacking energy: -134.288 Base-Backbone interact. energy: -0.053 local terms energy: -206.033769 where: bonds (distance) C4'-P energy: -50.269 bonds (distance) P-C4' energy: -53.235 flat angles C4'-P-C4' energy: -50.475 flat angles P-C4'-P energy: -36.034 tors. eta vs tors. theta energy: -16.022 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: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1158.620902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.620902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.620902 (E_RNA) where: Base-Base interactions energy: -782.560 where: short stacking energy: -366.826 Base-Backbone interact. energy: -0.191 local terms energy: -375.869732 where: bonds (distance) C4'-P energy: -65.455 bonds (distance) P-C4' energy: -78.011 flat angles C4'-P-C4' energy: -70.883 flat angles P-C4'-P energy: -52.979 tors. eta vs tors. theta energy: -108.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1135.556053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.556053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.556053 (E_RNA) where: Base-Base interactions energy: -776.871 where: short stacking energy: -365.584 Base-Backbone interact. energy: 0.785 local terms energy: -359.469842 where: bonds (distance) C4'-P energy: -55.646 bonds (distance) P-C4' energy: -62.401 flat angles C4'-P-C4' energy: -82.411 flat angles P-C4'-P energy: -51.812 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: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1067.869105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.869105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.869105 (E_RNA) where: Base-Base interactions energy: -718.503 where: short stacking energy: -344.521 Base-Backbone interact. energy: 1.999 local terms energy: -351.365079 where: bonds (distance) C4'-P energy: -61.910 bonds (distance) P-C4' energy: -73.593 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -43.544 tors. eta vs tors. theta energy: -100.718 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: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -968.578859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.578859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.578859 (E_RNA) where: Base-Base interactions energy: -637.540 where: short stacking energy: -304.959 Base-Backbone interact. energy: -0.727 local terms energy: -330.310985 where: bonds (distance) C4'-P energy: -63.560 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -41.958 tors. eta vs tors. theta energy: -88.000 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: 8 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -904.808560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.808560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.808560 (E_RNA) where: Base-Base interactions energy: -582.745 where: short stacking energy: -293.476 Base-Backbone interact. energy: -1.450 local terms energy: -320.613230 where: bonds (distance) C4'-P energy: -58.244 bonds (distance) P-C4' energy: -54.708 flat angles C4'-P-C4' energy: -71.994 flat angles P-C4'-P energy: -48.440 tors. eta vs tors. theta energy: -87.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -763.257731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.257731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.257731 (E_RNA) where: Base-Base interactions energy: -474.250 where: short stacking energy: -229.702 Base-Backbone interact. energy: 0.449 local terms energy: -289.457174 where: bonds (distance) C4'-P energy: -65.784 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -58.447 flat angles P-C4'-P energy: -40.851 tors. eta vs tors. theta energy: -66.485 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: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -679.693342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.693342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.693342 (E_RNA) where: Base-Base interactions energy: -415.645 where: short stacking energy: -226.481 Base-Backbone interact. energy: -0.335 local terms energy: -263.713269 where: bonds (distance) C4'-P energy: -54.680 bonds (distance) P-C4' energy: -64.238 flat angles C4'-P-C4' energy: -51.211 flat angles P-C4'-P energy: -35.454 tors. eta vs tors. theta energy: -58.130 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: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -585.783729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.783729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.783729 (E_RNA) where: Base-Base interactions energy: -360.007 where: short stacking energy: -186.974 Base-Backbone interact. energy: 6.200 local terms energy: -231.976823 where: bonds (distance) C4'-P energy: -47.105 bonds (distance) P-C4' energy: -52.437 flat angles C4'-P-C4' energy: -54.429 flat angles P-C4'-P energy: -38.793 tors. eta vs tors. theta energy: -39.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -457.376507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.376507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.376507 (E_RNA) where: Base-Base interactions energy: -228.686 where: short stacking energy: -128.365 Base-Backbone interact. energy: -1.687 local terms energy: -227.003470 where: bonds (distance) C4'-P energy: -62.922 bonds (distance) P-C4' energy: -56.680 flat angles C4'-P-C4' energy: -57.839 flat angles P-C4'-P energy: -36.821 tors. eta vs tors. theta energy: -12.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -399.955190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.955190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.955190 (E_RNA) where: Base-Base interactions energy: -210.637 where: short stacking energy: -107.083 Base-Backbone interact. energy: 5.482 local terms energy: -194.800447 where: bonds (distance) C4'-P energy: -51.182 bonds (distance) P-C4' energy: -62.007 flat angles C4'-P-C4' energy: -42.853 flat angles P-C4'-P energy: -39.699 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: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1158.324678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.324678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.324678 (E_RNA) where: Base-Base interactions energy: -797.452 where: short stacking energy: -361.241 Base-Backbone interact. energy: -1.178 local terms energy: -359.694363 where: bonds (distance) C4'-P energy: -66.609 bonds (distance) P-C4' energy: -68.998 flat angles C4'-P-C4' energy: -78.791 flat angles P-C4'-P energy: -46.509 tors. eta vs tors. theta energy: -98.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1131.377623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.377623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.377623 (E_RNA) where: Base-Base interactions energy: -764.663 where: short stacking energy: -370.076 Base-Backbone interact. energy: -0.404 local terms energy: -366.310850 where: bonds (distance) C4'-P energy: -71.095 bonds (distance) P-C4' energy: -60.358 flat angles C4'-P-C4' energy: -73.701 flat angles P-C4'-P energy: -49.844 tors. eta vs tors. theta energy: -111.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1081.530337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.530337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.530337 (E_RNA) where: Base-Base interactions energy: -736.342 where: short stacking energy: -349.587 Base-Backbone interact. energy: 3.016 local terms energy: -348.203828 where: bonds (distance) C4'-P energy: -59.764 bonds (distance) P-C4' energy: -79.077 flat angles C4'-P-C4' energy: -68.901 flat angles P-C4'-P energy: -39.938 tors. eta vs tors. theta energy: -100.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -963.448548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.448548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.448548 (E_RNA) where: Base-Base interactions energy: -624.886 where: short stacking energy: -292.804 Base-Backbone interact. energy: -0.380 local terms energy: -338.182189 where: bonds (distance) C4'-P energy: -65.994 bonds (distance) P-C4' energy: -59.462 flat angles C4'-P-C4' energy: -83.780 flat angles P-C4'-P energy: -44.222 tors. eta vs tors. theta energy: -84.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -879.896996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.896996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.896996 (E_RNA) where: Base-Base interactions energy: -546.627 where: short stacking energy: -289.762 Base-Backbone interact. energy: 3.055 local terms energy: -336.324584 where: bonds (distance) C4'-P energy: -59.106 bonds (distance) P-C4' energy: -66.068 flat angles C4'-P-C4' energy: -78.570 flat angles P-C4'-P energy: -50.147 tors. eta vs tors. theta energy: -82.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -753.023579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.023579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.023579 (E_RNA) where: Base-Base interactions energy: -476.084 where: short stacking energy: -218.289 Base-Backbone interact. energy: -0.888 local terms energy: -276.051772 where: bonds (distance) C4'-P energy: -67.126 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -56.546 flat angles P-C4'-P energy: -41.284 tors. eta vs tors. theta energy: -43.264 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: 399 Temperature: 1.200000 Total energy: -671.324908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.324908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.324908 (E_RNA) where: Base-Base interactions energy: -403.022 where: short stacking energy: -210.388 Base-Backbone interact. energy: -0.315 local terms energy: -267.988218 where: bonds (distance) C4'-P energy: -48.887 bonds (distance) P-C4' energy: -71.240 flat angles C4'-P-C4' energy: -61.412 flat angles P-C4'-P energy: -32.778 tors. eta vs tors. theta energy: -53.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -573.768682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.768682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.768682 (E_RNA) where: Base-Base interactions energy: -338.098 where: short stacking energy: -180.618 Base-Backbone interact. energy: 2.246 local terms energy: -237.916278 where: bonds (distance) C4'-P energy: -58.605 bonds (distance) P-C4' energy: -52.813 flat angles C4'-P-C4' energy: -44.503 flat angles P-C4'-P energy: -47.513 tors. eta vs tors. theta energy: -34.482 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: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -439.509593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.509593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.509593 (E_RNA) where: Base-Base interactions energy: -241.290 where: short stacking energy: -129.938 Base-Backbone interact. energy: -1.268 local terms energy: -196.951509 where: bonds (distance) C4'-P energy: -52.112 bonds (distance) P-C4' energy: -64.063 flat angles C4'-P-C4' energy: -48.339 flat angles P-C4'-P energy: -27.478 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -342.190584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.190584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.190584 (E_RNA) where: Base-Base interactions energy: -154.581 where: short stacking energy: -108.123 Base-Backbone interact. energy: 0.111 local terms energy: -187.720249 where: bonds (distance) C4'-P energy: -60.113 bonds (distance) P-C4' energy: -55.469 flat angles C4'-P-C4' energy: -41.217 flat angles P-C4'-P energy: -32.186 tors. eta vs tors. theta energy: 1.264 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: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1168.002764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.002764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.002764 (E_RNA) where: Base-Base interactions energy: -796.247 where: short stacking energy: -373.542 Base-Backbone interact. energy: -1.049 local terms energy: -370.707352 where: bonds (distance) C4'-P energy: -61.545 bonds (distance) P-C4' energy: -70.543 flat angles C4'-P-C4' energy: -81.348 flat angles P-C4'-P energy: -52.030 tors. eta vs tors. theta energy: -105.242 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: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1133.259104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.259104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.259104 (E_RNA) where: Base-Base interactions energy: -764.184 where: short stacking energy: -340.041 Base-Backbone interact. energy: -0.617 local terms energy: -368.458005 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -78.585 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -101.060 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: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1094.542172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.542172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.542172 (E_RNA) where: Base-Base interactions energy: -755.879 where: short stacking energy: -351.422 Base-Backbone interact. energy: 0.551 local terms energy: -339.214231 where: bonds (distance) C4'-P energy: -64.478 bonds (distance) P-C4' energy: -72.537 flat angles C4'-P-C4' energy: -67.025 flat angles P-C4'-P energy: -36.649 tors. eta vs tors. theta energy: -98.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -956.180626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.180626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.180626 (E_RNA) where: Base-Base interactions energy: -639.105 where: short stacking energy: -300.308 Base-Backbone interact. energy: -0.665 local terms energy: -316.410184 where: bonds (distance) C4'-P energy: -60.705 bonds (distance) P-C4' energy: -56.522 flat angles C4'-P-C4' energy: -74.445 flat angles P-C4'-P energy: -46.686 tors. eta vs tors. theta energy: -78.053 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: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -888.262504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.262504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.262504 (E_RNA) where: Base-Base interactions energy: -569.896 where: short stacking energy: -288.159 Base-Backbone interact. energy: -2.282 local terms energy: -316.084406 where: bonds (distance) C4'-P energy: -65.617 bonds (distance) P-C4' energy: -54.609 flat angles C4'-P-C4' energy: -68.007 flat angles P-C4'-P energy: -48.819 tors. eta vs tors. theta energy: -79.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -813.079790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.079790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.079790 (E_RNA) where: Base-Base interactions energy: -527.961 where: short stacking energy: -261.262 Base-Backbone interact. energy: 3.345 local terms energy: -288.463878 where: bonds (distance) C4'-P energy: -52.045 bonds (distance) P-C4' energy: -59.210 flat angles C4'-P-C4' energy: -61.119 flat angles P-C4'-P energy: -41.654 tors. eta vs tors. theta energy: -74.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -681.014262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.014262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.014262 (E_RNA) where: Base-Base interactions energy: -414.475 where: short stacking energy: -207.705 Base-Backbone interact. energy: -1.998 local terms energy: -264.541044 where: bonds (distance) C4'-P energy: -59.042 bonds (distance) P-C4' energy: -62.638 flat angles C4'-P-C4' energy: -60.723 flat angles P-C4'-P energy: -38.400 tors. eta vs tors. theta energy: -43.738 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: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -604.893084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.893084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.893084 (E_RNA) where: Base-Base interactions energy: -344.836 where: short stacking energy: -185.628 Base-Backbone interact. energy: -0.192 local terms energy: -259.864538 where: bonds (distance) C4'-P energy: -63.708 bonds (distance) P-C4' energy: -60.053 flat angles C4'-P-C4' energy: -65.844 flat angles P-C4'-P energy: -32.711 tors. eta vs tors. theta energy: -37.549 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: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -463.883000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.883000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.883000 (E_RNA) where: Base-Base interactions energy: -249.073 where: short stacking energy: -142.746 Base-Backbone interact. energy: 0.027 local terms energy: -214.836296 where: bonds (distance) C4'-P energy: -56.680 bonds (distance) P-C4' energy: -63.430 flat angles C4'-P-C4' energy: -43.778 flat angles P-C4'-P energy: -35.620 tors. eta vs tors. theta energy: -15.329 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: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -346.563328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.563328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.563328 (E_RNA) where: Base-Base interactions energy: -166.564 where: short stacking energy: -97.796 Base-Backbone interact. energy: 6.067 local terms energy: -186.066249 where: bonds (distance) C4'-P energy: -52.964 bonds (distance) P-C4' energy: -65.556 flat angles C4'-P-C4' energy: -47.466 flat angles P-C4'-P energy: -30.929 tors. eta vs tors. theta energy: 10.849 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: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1157.061786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.061786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.061786 (E_RNA) where: Base-Base interactions energy: -771.024 where: short stacking energy: -372.400 Base-Backbone interact. energy: -0.217 local terms energy: -385.821170 where: bonds (distance) C4'-P energy: -67.948 bonds (distance) P-C4' energy: -71.981 flat angles C4'-P-C4' energy: -83.628 flat angles P-C4'-P energy: -50.003 tors. eta vs tors. theta energy: -112.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1116.287735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.287735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.287735 (E_RNA) where: Base-Base interactions energy: -747.944 where: short stacking energy: -355.040 Base-Backbone interact. energy: -0.701 local terms energy: -367.643014 where: bonds (distance) C4'-P energy: -64.431 bonds (distance) P-C4' energy: -67.475 flat angles C4'-P-C4' energy: -83.622 flat angles P-C4'-P energy: -49.275 tors. eta vs tors. theta energy: -102.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1077.861778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.861778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.861778 (E_RNA) where: Base-Base interactions energy: -730.733 where: short stacking energy: -337.976 Base-Backbone interact. energy: -2.132 local terms energy: -344.996916 where: bonds (distance) C4'-P energy: -59.033 bonds (distance) P-C4' energy: -68.139 flat angles C4'-P-C4' energy: -82.312 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -96.221 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: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -981.606646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.606646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.606646 (E_RNA) where: Base-Base interactions energy: -647.304 where: short stacking energy: -306.112 Base-Backbone interact. energy: -0.545 local terms energy: -333.758074 where: bonds (distance) C4'-P energy: -64.987 bonds (distance) P-C4' energy: -54.211 flat angles C4'-P-C4' energy: -73.218 flat angles P-C4'-P energy: -51.743 tors. eta vs tors. theta energy: -89.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -865.029651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.029651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.029651 (E_RNA) where: Base-Base interactions energy: -556.865 where: short stacking energy: -273.395 Base-Backbone interact. energy: -1.240 local terms energy: -306.924730 where: bonds (distance) C4'-P energy: -51.789 bonds (distance) P-C4' energy: -73.302 flat angles C4'-P-C4' energy: -63.472 flat angles P-C4'-P energy: -44.964 tors. eta vs tors. theta energy: -73.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -790.874435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.874435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.874435 (E_RNA) where: Base-Base interactions energy: -503.707 where: short stacking energy: -238.636 Base-Backbone interact. energy: -0.076 local terms energy: -287.091461 where: bonds (distance) C4'-P energy: -58.936 bonds (distance) P-C4' energy: -63.354 flat angles C4'-P-C4' energy: -69.342 flat angles P-C4'-P energy: -35.083 tors. eta vs tors. theta energy: -60.376 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: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -706.065259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.065259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.065259 (E_RNA) where: Base-Base interactions energy: -451.399 where: short stacking energy: -227.925 Base-Backbone interact. energy: 1.186 local terms energy: -255.852083 where: bonds (distance) C4'-P energy: -55.285 bonds (distance) P-C4' energy: -48.345 flat angles C4'-P-C4' energy: -59.951 flat angles P-C4'-P energy: -40.722 tors. eta vs tors. theta energy: -51.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -581.324290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.324290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.324290 (E_RNA) where: Base-Base interactions energy: -316.236 where: short stacking energy: -173.678 Base-Backbone interact. energy: -0.564 local terms energy: -264.524384 where: bonds (distance) C4'-P energy: -51.867 bonds (distance) P-C4' energy: -71.402 flat angles C4'-P-C4' energy: -62.099 flat angles P-C4'-P energy: -43.317 tors. eta vs tors. theta energy: -35.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -522.952858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.952858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.952858 (E_RNA) where: Base-Base interactions energy: -300.563 where: short stacking energy: -157.274 Base-Backbone interact. energy: -0.739 local terms energy: -221.650551 where: bonds (distance) C4'-P energy: -61.421 bonds (distance) P-C4' energy: -55.997 flat angles C4'-P-C4' energy: -44.921 flat angles P-C4'-P energy: -28.450 tors. eta vs tors. theta energy: -30.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -370.692410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.692410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.692410 (E_RNA) where: Base-Base interactions energy: -156.471 where: short stacking energy: -106.115 Base-Backbone interact. energy: -0.221 local terms energy: -214.000205 where: bonds (distance) C4'-P energy: -58.279 bonds (distance) P-C4' energy: -58.333 flat angles C4'-P-C4' energy: -62.574 flat angles P-C4'-P energy: -25.185 tors. eta vs tors. theta energy: -9.629 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: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1151.790776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.790776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.790776 (E_RNA) where: Base-Base interactions energy: -772.033 where: short stacking energy: -358.014 Base-Backbone interact. energy: -1.554 local terms energy: -378.203798 where: bonds (distance) C4'-P energy: -70.714 bonds (distance) P-C4' energy: -72.778 flat angles C4'-P-C4' energy: -78.195 flat angles P-C4'-P energy: -52.448 tors. eta vs tors. theta energy: -104.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1135.664472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.664472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.664472 (E_RNA) where: Base-Base interactions energy: -760.543 where: short stacking energy: -364.008 Base-Backbone interact. energy: -1.517 local terms energy: -373.604436 where: bonds (distance) C4'-P energy: -53.001 bonds (distance) P-C4' energy: -69.657 flat angles C4'-P-C4' energy: -77.139 flat angles P-C4'-P energy: -56.315 tors. eta vs tors. theta energy: -117.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1076.844596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.844596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.844596 (E_RNA) where: Base-Base interactions energy: -731.439 where: short stacking energy: -340.180 Base-Backbone interact. energy: -0.483 local terms energy: -344.922575 where: bonds (distance) C4'-P energy: -65.061 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -68.758 flat angles P-C4'-P energy: -46.482 tors. eta vs tors. theta energy: -95.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -986.586209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.586209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.586209 (E_RNA) where: Base-Base interactions energy: -631.659 where: short stacking energy: -300.699 Base-Backbone interact. energy: 2.003 local terms energy: -356.930155 where: bonds (distance) C4'-P energy: -73.297 bonds (distance) P-C4' energy: -72.046 flat angles C4'-P-C4' energy: -76.551 flat angles P-C4'-P energy: -55.995 tors. eta vs tors. theta energy: -79.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -838.268983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.268983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.268983 (E_RNA) where: Base-Base interactions energy: -533.724 where: short stacking energy: -266.708 Base-Backbone interact. energy: -0.060 local terms energy: -304.484195 where: bonds (distance) C4'-P energy: -61.900 bonds (distance) P-C4' energy: -64.688 flat angles C4'-P-C4' energy: -71.287 flat angles P-C4'-P energy: -39.404 tors. eta vs tors. theta energy: -67.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -816.336989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.336989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.336989 (E_RNA) where: Base-Base interactions energy: -517.648 where: short stacking energy: -279.641 Base-Backbone interact. energy: 0.702 local terms energy: -299.390658 where: bonds (distance) C4'-P energy: -46.076 bonds (distance) P-C4' energy: -69.439 flat angles C4'-P-C4' energy: -66.162 flat angles P-C4'-P energy: -45.248 tors. eta vs tors. theta energy: -72.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -703.202408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.202408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.202408 (E_RNA) where: Base-Base interactions energy: -437.489 where: short stacking energy: -238.259 Base-Backbone interact. energy: -1.190 local terms energy: -264.523693 where: bonds (distance) C4'-P energy: -53.536 bonds (distance) P-C4' energy: -56.135 flat angles C4'-P-C4' energy: -49.138 flat angles P-C4'-P energy: -39.647 tors. eta vs tors. theta energy: -66.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -553.544652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.544652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.544652 (E_RNA) where: Base-Base interactions energy: -332.649 where: short stacking energy: -173.672 Base-Backbone interact. energy: -0.732 local terms energy: -220.164180 where: bonds (distance) C4'-P energy: -52.882 bonds (distance) P-C4' energy: -60.526 flat angles C4'-P-C4' energy: -53.873 flat angles P-C4'-P energy: -36.923 tors. eta vs tors. theta energy: -15.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -455.963557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.963557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.963557 (E_RNA) where: Base-Base interactions energy: -253.173 where: short stacking energy: -119.251 Base-Backbone interact. energy: 2.194 local terms energy: -204.984524 where: bonds (distance) C4'-P energy: -53.742 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -49.475 flat angles P-C4'-P energy: -30.893 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -306.307820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.307820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.307820 (E_RNA) where: Base-Base interactions energy: -120.780 where: short stacking energy: -84.056 Base-Backbone interact. energy: -2.557 local terms energy: -182.970336 where: bonds (distance) C4'-P energy: -53.753 bonds (distance) P-C4' energy: -52.414 flat angles C4'-P-C4' energy: -46.367 flat angles P-C4'-P energy: -29.687 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1143.805647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.805647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.805647 (E_RNA) where: Base-Base interactions energy: -754.333 where: short stacking energy: -353.768 Base-Backbone interact. energy: -0.620 local terms energy: -388.852222 where: bonds (distance) C4'-P energy: -71.396 bonds (distance) P-C4' energy: -76.980 flat angles C4'-P-C4' energy: -77.148 flat angles P-C4'-P energy: -54.677 tors. eta vs tors. theta energy: -108.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1120.760435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.760435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.760435 (E_RNA) where: Base-Base interactions energy: -740.751 where: short stacking energy: -338.732 Base-Backbone interact. energy: -1.414 local terms energy: -378.596101 where: bonds (distance) C4'-P energy: -74.456 bonds (distance) P-C4' energy: -63.926 flat angles C4'-P-C4' energy: -78.395 flat angles P-C4'-P energy: -49.219 tors. eta vs tors. theta energy: -112.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1083.697788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.697788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.697788 (E_RNA) where: Base-Base interactions energy: -722.666 where: short stacking energy: -341.039 Base-Backbone interact. energy: -1.480 local terms energy: -359.552034 where: bonds (distance) C4'-P energy: -63.946 bonds (distance) P-C4' energy: -68.811 flat angles C4'-P-C4' energy: -76.990 flat angles P-C4'-P energy: -54.399 tors. eta vs tors. theta energy: -95.406 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: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1012.254244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.254244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.254244 (E_RNA) where: Base-Base interactions energy: -674.639 where: short stacking energy: -319.057 Base-Backbone interact. energy: -0.221 local terms energy: -337.394093 where: bonds (distance) C4'-P energy: -65.064 bonds (distance) P-C4' energy: -61.615 flat angles C4'-P-C4' energy: -72.934 flat angles P-C4'-P energy: -45.520 tors. eta vs tors. theta energy: -92.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -766.356657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.356657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.356657 (E_RNA) where: Base-Base interactions energy: -490.636 where: short stacking energy: -228.210 Base-Backbone interact. energy: 0.068 local terms energy: -275.788656 where: bonds (distance) C4'-P energy: -56.705 bonds (distance) P-C4' energy: -62.753 flat angles C4'-P-C4' energy: -65.480 flat angles P-C4'-P energy: -37.468 tors. eta vs tors. theta energy: -53.381 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: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -808.175444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.175444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.175444 (E_RNA) where: Base-Base interactions energy: -527.639 where: short stacking energy: -248.599 Base-Backbone interact. energy: 2.265 local terms energy: -282.801777 where: bonds (distance) C4'-P energy: -57.794 bonds (distance) P-C4' energy: -67.977 flat angles C4'-P-C4' energy: -62.278 flat angles P-C4'-P energy: -29.440 tors. eta vs tors. theta energy: -65.313 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: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -694.608803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.608803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.608803 (E_RNA) where: Base-Base interactions energy: -438.863 where: short stacking energy: -232.716 Base-Backbone interact. energy: -1.257 local terms energy: -254.488255 where: bonds (distance) C4'-P energy: -40.275 bonds (distance) P-C4' energy: -66.162 flat angles C4'-P-C4' energy: -54.256 flat angles P-C4'-P energy: -31.467 tors. eta vs tors. theta energy: -62.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -560.231596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.231596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.231596 (E_RNA) where: Base-Base interactions energy: -314.571 where: short stacking energy: -179.668 Base-Backbone interact. energy: -0.663 local terms energy: -244.997308 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -63.209 flat angles C4'-P-C4' energy: -49.425 flat angles P-C4'-P energy: -28.975 tors. eta vs tors. theta energy: -42.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -486.746036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.746036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.746036 (E_RNA) where: Base-Base interactions energy: -255.128 where: short stacking energy: -151.449 Base-Backbone interact. energy: 0.679 local terms energy: -232.296177 where: bonds (distance) C4'-P energy: -56.942 bonds (distance) P-C4' energy: -62.501 flat angles C4'-P-C4' energy: -58.391 flat angles P-C4'-P energy: -36.256 tors. eta vs tors. theta energy: -18.207 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: 403 Temperature: 1.350000 Total energy: -319.243370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.243370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.243370 (E_RNA) where: Base-Base interactions energy: -139.369 where: short stacking energy: -81.761 Base-Backbone interact. energy: 0.160 local terms energy: -180.033899 where: bonds (distance) C4'-P energy: -59.450 bonds (distance) P-C4' energy: -65.568 flat angles C4'-P-C4' energy: -43.181 flat angles P-C4'-P energy: -19.828 tors. eta vs tors. theta energy: 7.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1190.576712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.576712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.576712 (E_RNA) where: Base-Base interactions energy: -801.525 where: short stacking energy: -392.443 Base-Backbone interact. energy: -0.833 local terms energy: -388.218041 where: bonds (distance) C4'-P energy: -62.011 bonds (distance) P-C4' energy: -68.789 flat angles C4'-P-C4' energy: -80.471 flat angles P-C4'-P energy: -55.688 tors. eta vs tors. theta energy: -121.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1147.691918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.691918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.691918 (E_RNA) where: Base-Base interactions energy: -777.052 where: short stacking energy: -366.595 Base-Backbone interact. energy: 2.754 local terms energy: -373.393864 where: bonds (distance) C4'-P energy: -65.518 bonds (distance) P-C4' energy: -71.772 flat angles C4'-P-C4' energy: -78.833 flat angles P-C4'-P energy: -46.584 tors. eta vs tors. theta energy: -110.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1067.931764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.931764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.931764 (E_RNA) where: Base-Base interactions energy: -727.981 where: short stacking energy: -303.943 Base-Backbone interact. energy: -1.650 local terms energy: -338.301233 where: bonds (distance) C4'-P energy: -69.958 bonds (distance) P-C4' energy: -66.491 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -43.752 tors. eta vs tors. theta energy: -86.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -985.767420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.767420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.767420 (E_RNA) where: Base-Base interactions energy: -636.043 where: short stacking energy: -303.291 Base-Backbone interact. energy: -1.478 local terms energy: -348.246474 where: bonds (distance) C4'-P energy: -70.235 bonds (distance) P-C4' energy: -68.159 flat angles C4'-P-C4' energy: -73.342 flat angles P-C4'-P energy: -43.993 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: 5, replica: 8 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -843.329127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.329127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.329127 (E_RNA) where: Base-Base interactions energy: -542.629 where: short stacking energy: -273.786 Base-Backbone interact. energy: -0.621 local terms energy: -300.078982 where: bonds (distance) C4'-P energy: -59.710 bonds (distance) P-C4' energy: -65.027 flat angles C4'-P-C4' energy: -67.921 flat angles P-C4'-P energy: -35.777 tors. eta vs tors. theta energy: -71.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -794.982634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.982634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.982634 (E_RNA) where: Base-Base interactions energy: -506.936 where: short stacking energy: -244.645 Base-Backbone interact. energy: 2.358 local terms energy: -290.404973 where: bonds (distance) C4'-P energy: -55.479 bonds (distance) P-C4' energy: -71.364 flat angles C4'-P-C4' energy: -65.333 flat angles P-C4'-P energy: -43.729 tors. eta vs tors. theta energy: -54.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -687.313227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.313227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.313227 (E_RNA) where: Base-Base interactions energy: -420.591 where: short stacking energy: -216.120 Base-Backbone interact. energy: -0.937 local terms energy: -265.784827 where: bonds (distance) C4'-P energy: -51.470 bonds (distance) P-C4' energy: -60.921 flat angles C4'-P-C4' energy: -59.715 flat angles P-C4'-P energy: -31.400 tors. eta vs tors. theta energy: -62.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -579.751307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.751307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.751307 (E_RNA) where: Base-Base interactions energy: -324.760 where: short stacking energy: -168.888 Base-Backbone interact. energy: 0.161 local terms energy: -255.152640 where: bonds (distance) C4'-P energy: -72.659 bonds (distance) P-C4' energy: -57.549 flat angles C4'-P-C4' energy: -55.724 flat angles P-C4'-P energy: -37.395 tors. eta vs tors. theta energy: -31.826 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: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -366.977497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.977497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.977497 (E_RNA) where: Base-Base interactions energy: -156.199 where: short stacking energy: -98.315 Base-Backbone interact. energy: -0.185 local terms energy: -210.594259 where: bonds (distance) C4'-P energy: -63.080 bonds (distance) P-C4' energy: -69.489 flat angles C4'-P-C4' energy: -48.532 flat angles P-C4'-P energy: -24.921 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: 2 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -449.495583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.495583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.495583 (E_RNA) where: Base-Base interactions energy: -259.620 where: short stacking energy: -137.250 Base-Backbone interact. energy: 2.473 local terms energy: -192.348474 where: bonds (distance) C4'-P energy: -51.594 bonds (distance) P-C4' energy: -46.739 flat angles C4'-P-C4' energy: -47.068 flat angles P-C4'-P energy: -33.065 tors. eta vs tors. theta energy: -13.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1191.653547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.653547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.653547 (E_RNA) where: Base-Base interactions energy: -787.392 where: short stacking energy: -383.238 Base-Backbone interact. energy: -0.213 local terms energy: -404.048659 where: bonds (distance) C4'-P energy: -71.127 bonds (distance) P-C4' energy: -74.490 flat angles C4'-P-C4' energy: -81.246 flat angles P-C4'-P energy: -64.548 tors. eta vs tors. theta energy: -112.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1120.308615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.308615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.308615 (E_RNA) where: Base-Base interactions energy: -771.027 where: short stacking energy: -357.684 Base-Backbone interact. energy: -0.328 local terms energy: -348.953534 where: bonds (distance) C4'-P energy: -65.207 bonds (distance) P-C4' energy: -65.570 flat angles C4'-P-C4' energy: -65.909 flat angles P-C4'-P energy: -48.579 tors. eta vs tors. theta energy: -103.690 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: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1046.029820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.029820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.029820 (E_RNA) where: Base-Base interactions energy: -694.087 where: short stacking energy: -316.975 Base-Backbone interact. energy: -0.804 local terms energy: -351.138452 where: bonds (distance) C4'-P energy: -65.411 bonds (distance) P-C4' energy: -68.212 flat angles C4'-P-C4' energy: -79.064 flat angles P-C4'-P energy: -49.394 tors. eta vs tors. theta energy: -89.057 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: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -995.220481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.220481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.220481 (E_RNA) where: Base-Base interactions energy: -672.801 where: short stacking energy: -320.149 Base-Backbone interact. energy: 0.566 local terms energy: -322.985572 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -59.626 flat angles C4'-P-C4' energy: -69.794 flat angles P-C4'-P energy: -49.378 tors. eta vs tors. theta energy: -84.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -820.267435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.267435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.267435 (E_RNA) where: Base-Base interactions energy: -526.630 where: short stacking energy: -259.661 Base-Backbone interact. energy: -0.417 local terms energy: -293.220723 where: bonds (distance) C4'-P energy: -53.258 bonds (distance) P-C4' energy: -64.713 flat angles C4'-P-C4' energy: -69.668 flat angles P-C4'-P energy: -35.037 tors. eta vs tors. theta energy: -70.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -783.239017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.239017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.239017 (E_RNA) where: Base-Base interactions energy: -490.941 where: short stacking energy: -224.547 Base-Backbone interact. energy: -1.014 local terms energy: -291.284328 where: bonds (distance) C4'-P energy: -65.923 bonds (distance) P-C4' energy: -66.747 flat angles C4'-P-C4' energy: -57.677 flat angles P-C4'-P energy: -39.648 tors. eta vs tors. theta energy: -61.288 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: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -669.949297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.949297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.949297 (E_RNA) where: Base-Base interactions energy: -393.129 where: short stacking energy: -194.838 Base-Backbone interact. energy: 0.009 local terms energy: -276.829756 where: bonds (distance) C4'-P energy: -72.542 bonds (distance) P-C4' energy: -61.659 flat angles C4'-P-C4' energy: -65.727 flat angles P-C4'-P energy: -35.076 tors. eta vs tors. theta energy: -41.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -584.761352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.761352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.761352 (E_RNA) where: Base-Base interactions energy: -334.354 where: short stacking energy: -171.904 Base-Backbone interact. energy: -1.914 local terms energy: -248.493919 where: bonds (distance) C4'-P energy: -60.371 bonds (distance) P-C4' energy: -64.229 flat angles C4'-P-C4' energy: -42.463 flat angles P-C4'-P energy: -43.589 tors. eta vs tors. theta energy: -37.842 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: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -381.574795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.574795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.574795 (E_RNA) where: Base-Base interactions energy: -154.498 where: short stacking energy: -103.296 Base-Backbone interact. energy: -0.980 local terms energy: -226.097187 where: bonds (distance) C4'-P energy: -63.244 bonds (distance) P-C4' energy: -66.616 flat angles C4'-P-C4' energy: -47.095 flat angles P-C4'-P energy: -40.341 tors. eta vs tors. theta energy: -8.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -402.152647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.152647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.152647 (E_RNA) where: Base-Base interactions energy: -198.423 where: short stacking energy: -111.796 Base-Backbone interact. energy: -1.046 local terms energy: -202.683122 where: bonds (distance) C4'-P energy: -57.386 bonds (distance) P-C4' energy: -57.763 flat angles C4'-P-C4' energy: -49.767 flat angles P-C4'-P energy: -29.110 tors. eta vs tors. theta energy: -8.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1176.062788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.062788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.062788 (E_RNA) where: Base-Base interactions energy: -796.123 where: short stacking energy: -384.819 Base-Backbone interact. energy: -0.192 local terms energy: -379.747813 where: bonds (distance) C4'-P energy: -70.472 bonds (distance) P-C4' energy: -66.985 flat angles C4'-P-C4' energy: -72.776 flat angles P-C4'-P energy: -54.591 tors. eta vs tors. theta energy: -114.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1152.892481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.892481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.892481 (E_RNA) where: Base-Base interactions energy: -773.633 where: short stacking energy: -374.509 Base-Backbone interact. energy: -0.897 local terms energy: -378.362635 where: bonds (distance) C4'-P energy: -65.923 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -75.439 flat angles P-C4'-P energy: -58.755 tors. eta vs tors. theta energy: -107.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1013.331990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.331990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.331990 (E_RNA) where: Base-Base interactions energy: -679.662 where: short stacking energy: -319.735 Base-Backbone interact. energy: -0.893 local terms energy: -332.776932 where: bonds (distance) C4'-P energy: -64.120 bonds (distance) P-C4' energy: -65.915 flat angles C4'-P-C4' energy: -69.552 flat angles P-C4'-P energy: -47.729 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: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -958.273717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.273717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.273717 (E_RNA) where: Base-Base interactions energy: -616.511 where: short stacking energy: -270.766 Base-Backbone interact. energy: -2.471 local terms energy: -339.291747 where: bonds (distance) C4'-P energy: -77.956 bonds (distance) P-C4' energy: -63.579 flat angles C4'-P-C4' energy: -68.198 flat angles P-C4'-P energy: -41.454 tors. eta vs tors. theta energy: -88.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -792.079907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.079907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.079907 (E_RNA) where: Base-Base interactions energy: -478.074 where: short stacking energy: -242.489 Base-Backbone interact. energy: -0.674 local terms energy: -313.331817 where: bonds (distance) C4'-P energy: -74.046 bonds (distance) P-C4' energy: -66.701 flat angles C4'-P-C4' energy: -65.033 flat angles P-C4'-P energy: -43.915 tors. eta vs tors. theta energy: -63.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -818.522122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.522122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.522122 (E_RNA) where: Base-Base interactions energy: -526.098 where: short stacking energy: -250.723 Base-Backbone interact. energy: 0.200 local terms energy: -292.623771 where: bonds (distance) C4'-P energy: -63.825 bonds (distance) P-C4' energy: -73.886 flat angles C4'-P-C4' energy: -58.959 flat angles P-C4'-P energy: -36.359 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: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -737.884099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.884099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.884099 (E_RNA) where: Base-Base interactions energy: -445.882 where: short stacking energy: -215.717 Base-Backbone interact. energy: 0.222 local terms energy: -292.224080 where: bonds (distance) C4'-P energy: -62.626 bonds (distance) P-C4' energy: -66.820 flat angles C4'-P-C4' energy: -67.610 flat angles P-C4'-P energy: -47.888 tors. eta vs tors. theta energy: -47.281 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: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -649.053578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.053578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.053578 (E_RNA) where: Base-Base interactions energy: -391.704 where: short stacking energy: -190.047 Base-Backbone interact. energy: -0.928 local terms energy: -256.421570 where: bonds (distance) C4'-P energy: -50.553 bonds (distance) P-C4' energy: -60.925 flat angles C4'-P-C4' energy: -60.179 flat angles P-C4'-P energy: -40.882 tors. eta vs tors. theta energy: -43.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -398.119621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.119621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.119621 (E_RNA) where: Base-Base interactions energy: -203.055 where: short stacking energy: -117.188 Base-Backbone interact. energy: -2.843 local terms energy: -192.221551 where: bonds (distance) C4'-P energy: -48.568 bonds (distance) P-C4' energy: -62.813 flat angles C4'-P-C4' energy: -44.077 flat angles P-C4'-P energy: -32.425 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -365.040424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.040424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.040424 (E_RNA) where: Base-Base interactions energy: -182.319 where: short stacking energy: -89.320 Base-Backbone interact. energy: 2.232 local terms energy: -184.953435 where: bonds (distance) C4'-P energy: -49.756 bonds (distance) P-C4' energy: -67.098 flat angles C4'-P-C4' energy: -49.909 flat angles P-C4'-P energy: -33.454 tors. eta vs tors. theta energy: 15.264 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: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1180.958279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.958279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.958279 (E_RNA) where: Base-Base interactions energy: -785.396 where: short stacking energy: -373.872 Base-Backbone interact. energy: -0.372 local terms energy: -395.189887 where: bonds (distance) C4'-P energy: -71.244 bonds (distance) P-C4' energy: -72.052 flat angles C4'-P-C4' energy: -79.418 flat angles P-C4'-P energy: -54.825 tors. eta vs tors. theta energy: -117.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1134.689471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.689471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.689471 (E_RNA) where: Base-Base interactions energy: -757.688 where: short stacking energy: -347.437 Base-Backbone interact. energy: 0.466 local terms energy: -377.467335 where: bonds (distance) C4'-P energy: -61.047 bonds (distance) P-C4' energy: -73.421 flat angles C4'-P-C4' energy: -77.356 flat angles P-C4'-P energy: -57.038 tors. eta vs tors. theta energy: -108.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1040.511608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.511608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.511608 (E_RNA) where: Base-Base interactions energy: -708.977 where: short stacking energy: -328.690 Base-Backbone interact. energy: -1.191 local terms energy: -330.343285 where: bonds (distance) C4'-P energy: -67.402 bonds (distance) P-C4' energy: -70.450 flat angles C4'-P-C4' energy: -70.523 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: -81.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -968.695826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.695826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.695826 (E_RNA) where: Base-Base interactions energy: -641.198 where: short stacking energy: -309.838 Base-Backbone interact. energy: 1.813 local terms energy: -329.311061 where: bonds (distance) C4'-P energy: -55.833 bonds (distance) P-C4' energy: -77.746 flat angles C4'-P-C4' energy: -64.428 flat angles P-C4'-P energy: -47.086 tors. eta vs tors. theta energy: -84.219 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: 5, replica: 3 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -817.652320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.652320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.652320 (E_RNA) where: Base-Base interactions energy: -528.527 where: short stacking energy: -266.315 Base-Backbone interact. energy: 5.066 local terms energy: -294.190976 where: bonds (distance) C4'-P energy: -50.788 bonds (distance) P-C4' energy: -65.640 flat angles C4'-P-C4' energy: -65.742 flat angles P-C4'-P energy: -39.444 tors. eta vs tors. theta energy: -72.577 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: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -737.251632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.251632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.251632 (E_RNA) where: Base-Base interactions energy: -440.372 where: short stacking energy: -223.162 Base-Backbone interact. energy: -0.107 local terms energy: -296.773442 where: bonds (distance) C4'-P energy: -61.482 bonds (distance) P-C4' energy: -61.589 flat angles C4'-P-C4' energy: -67.690 flat angles P-C4'-P energy: -41.332 tors. eta vs tors. theta energy: -64.681 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: 8 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -754.525094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.525094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.525094 (E_RNA) where: Base-Base interactions energy: -483.550 where: short stacking energy: -224.623 Base-Backbone interact. energy: -1.063 local terms energy: -269.911723 where: bonds (distance) C4'-P energy: -54.593 bonds (distance) P-C4' energy: -60.381 flat angles C4'-P-C4' energy: -60.191 flat angles P-C4'-P energy: -42.280 tors. eta vs tors. theta energy: -52.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -643.125365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.125365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.125365 (E_RNA) where: Base-Base interactions energy: -402.861 where: short stacking energy: -197.501 Base-Backbone interact. energy: -1.213 local terms energy: -239.050779 where: bonds (distance) C4'-P energy: -47.306 bonds (distance) P-C4' energy: -57.324 flat angles C4'-P-C4' energy: -57.932 flat angles P-C4'-P energy: -36.259 tors. eta vs tors. theta energy: -40.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -454.197891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.197891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.197891 (E_RNA) where: Base-Base interactions energy: -223.613 where: short stacking energy: -148.457 Base-Backbone interact. energy: -0.893 local terms energy: -229.692130 where: bonds (distance) C4'-P energy: -59.156 bonds (distance) P-C4' energy: -57.404 flat angles C4'-P-C4' energy: -65.359 flat angles P-C4'-P energy: -15.321 tors. eta vs tors. theta energy: -32.452 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: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -315.033046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.033046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.033046 (E_RNA) where: Base-Base interactions energy: -129.595 where: short stacking energy: -89.944 Base-Backbone interact. energy: 2.506 local terms energy: -187.943187 where: bonds (distance) C4'-P energy: -52.707 bonds (distance) P-C4' energy: -77.243 flat angles C4'-P-C4' energy: -48.340 flat angles P-C4'-P energy: -23.270 tors. eta vs tors. theta energy: 13.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1151.757923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.757923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.757923 (E_RNA) where: Base-Base interactions energy: -765.646 where: short stacking energy: -366.686 Base-Backbone interact. energy: -0.769 local terms energy: -385.342550 where: bonds (distance) C4'-P energy: -76.793 bonds (distance) P-C4' energy: -65.536 flat angles C4'-P-C4' energy: -78.336 flat angles P-C4'-P energy: -51.413 tors. eta vs tors. theta energy: -113.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1146.493194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.493194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.493194 (E_RNA) where: Base-Base interactions energy: -776.645 where: short stacking energy: -379.050 Base-Backbone interact. energy: -1.366 local terms energy: -368.481492 where: bonds (distance) C4'-P energy: -69.324 bonds (distance) P-C4' energy: -65.400 flat angles C4'-P-C4' energy: -73.633 flat angles P-C4'-P energy: -47.860 tors. eta vs tors. theta energy: -112.264 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: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1048.873943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.873943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.873943 (E_RNA) where: Base-Base interactions energy: -699.865 where: short stacking energy: -324.734 Base-Backbone interact. energy: 1.556 local terms energy: -350.565125 where: bonds (distance) C4'-P energy: -66.138 bonds (distance) P-C4' energy: -74.117 flat angles C4'-P-C4' energy: -73.042 flat angles P-C4'-P energy: -55.190 tors. eta vs tors. theta energy: -82.079 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: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -981.731384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.731384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.731384 (E_RNA) where: Base-Base interactions energy: -646.915 where: short stacking energy: -298.587 Base-Backbone interact. energy: -0.845 local terms energy: -333.970782 where: bonds (distance) C4'-P energy: -65.036 bonds (distance) P-C4' energy: -73.064 flat angles C4'-P-C4' energy: -69.038 flat angles P-C4'-P energy: -41.931 tors. eta vs tors. theta energy: -84.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -843.109694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.109694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.109694 (E_RNA) where: Base-Base interactions energy: -525.425 where: short stacking energy: -258.819 Base-Backbone interact. energy: -1.345 local terms energy: -316.339601 where: bonds (distance) C4'-P energy: -71.375 bonds (distance) P-C4' energy: -63.255 flat angles C4'-P-C4' energy: -66.042 flat angles P-C4'-P energy: -44.263 tors. eta vs tors. theta energy: -71.406 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: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -732.944772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.944772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.944772 (E_RNA) where: Base-Base interactions energy: -461.407 where: short stacking energy: -226.006 Base-Backbone interact. energy: -2.361 local terms energy: -269.176645 where: bonds (distance) C4'-P energy: -55.873 bonds (distance) P-C4' energy: -65.309 flat angles C4'-P-C4' energy: -61.824 flat angles P-C4'-P energy: -38.576 tors. eta vs tors. theta energy: -47.595 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: 8 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -743.845773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.845773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.845773 (E_RNA) where: Base-Base interactions energy: -465.846 where: short stacking energy: -226.547 Base-Backbone interact. energy: -0.378 local terms energy: -277.621704 where: bonds (distance) C4'-P energy: -57.482 bonds (distance) P-C4' energy: -66.262 flat angles C4'-P-C4' energy: -58.830 flat angles P-C4'-P energy: -43.169 tors. eta vs tors. theta energy: -51.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -635.396337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.396337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.396337 (E_RNA) where: Base-Base interactions energy: -378.766 where: short stacking energy: -194.465 Base-Backbone interact. energy: -1.247 local terms energy: -255.383393 where: bonds (distance) C4'-P energy: -64.083 bonds (distance) P-C4' energy: -62.247 flat angles C4'-P-C4' energy: -49.243 flat angles P-C4'-P energy: -39.015 tors. eta vs tors. theta energy: -40.796 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: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -428.978298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.978298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.978298 (E_RNA) where: Base-Base interactions energy: -213.188 where: short stacking energy: -125.751 Base-Backbone interact. energy: 5.132 local terms energy: -220.922687 where: bonds (distance) C4'-P energy: -49.197 bonds (distance) P-C4' energy: -52.795 flat angles C4'-P-C4' energy: -58.052 flat angles P-C4'-P energy: -43.734 tors. eta vs tors. theta energy: -17.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -276.029212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.029212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.029212 (E_RNA) where: Base-Base interactions energy: -99.991 where: short stacking energy: -76.644 Base-Backbone interact. energy: 0.112 local terms energy: -176.149792 where: bonds (distance) C4'-P energy: -50.279 bonds (distance) P-C4' energy: -61.197 flat angles C4'-P-C4' energy: -45.702 flat angles P-C4'-P energy: -35.520 tors. eta vs tors. theta energy: 16.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1161.208720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.208720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.208720 (E_RNA) where: Base-Base interactions energy: -776.419 where: short stacking energy: -381.035 Base-Backbone interact. energy: -0.906 local terms energy: -383.884356 where: bonds (distance) C4'-P energy: -71.552 bonds (distance) P-C4' energy: -72.099 flat angles C4'-P-C4' energy: -81.531 flat angles P-C4'-P energy: -48.777 tors. eta vs tors. theta energy: -109.926 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: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1130.318401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.318401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.318401 (E_RNA) where: Base-Base interactions energy: -762.231 where: short stacking energy: -346.592 Base-Backbone interact. energy: -1.276 local terms energy: -366.811725 where: bonds (distance) C4'-P energy: -57.952 bonds (distance) P-C4' energy: -75.270 flat angles C4'-P-C4' energy: -78.259 flat angles P-C4'-P energy: -43.441 tors. eta vs tors. theta energy: -111.889 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: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1051.042546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.042546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.042546 (E_RNA) where: Base-Base interactions energy: -705.198 where: short stacking energy: -340.776 Base-Backbone interact. energy: 1.470 local terms energy: -347.314124 where: bonds (distance) C4'-P energy: -68.244 bonds (distance) P-C4' energy: -65.190 flat angles C4'-P-C4' energy: -75.976 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -91.409 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: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -965.953530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.953530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.953530 (E_RNA) where: Base-Base interactions energy: -626.714 where: short stacking energy: -302.285 Base-Backbone interact. energy: 0.206 local terms energy: -339.444996 where: bonds (distance) C4'-P energy: -64.576 bonds (distance) P-C4' energy: -68.592 flat angles C4'-P-C4' energy: -74.945 flat angles P-C4'-P energy: -45.705 tors. eta vs tors. theta energy: -85.627 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: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -814.053459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.053459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.053459 (E_RNA) where: Base-Base interactions energy: -508.986 where: short stacking energy: -265.769 Base-Backbone interact. energy: 0.951 local terms energy: -306.018525 where: bonds (distance) C4'-P energy: -60.158 bonds (distance) P-C4' energy: -55.643 flat angles C4'-P-C4' energy: -61.744 flat angles P-C4'-P energy: -56.116 tors. eta vs tors. theta energy: -72.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -752.427557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.427557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.427557 (E_RNA) where: Base-Base interactions energy: -465.361 where: short stacking energy: -233.013 Base-Backbone interact. energy: -0.395 local terms energy: -286.671342 where: bonds (distance) C4'-P energy: -62.619 bonds (distance) P-C4' energy: -59.524 flat angles C4'-P-C4' energy: -61.682 flat angles P-C4'-P energy: -55.082 tors. eta vs tors. theta energy: -47.763 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: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -728.278389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.278389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.278389 (E_RNA) where: Base-Base interactions energy: -458.296 where: short stacking energy: -232.994 Base-Backbone interact. energy: -1.172 local terms energy: -268.809717 where: bonds (distance) C4'-P energy: -48.892 bonds (distance) P-C4' energy: -54.182 flat angles C4'-P-C4' energy: -64.629 flat angles P-C4'-P energy: -43.677 tors. eta vs tors. theta energy: -57.429 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: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -605.805722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.805722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.805722 (E_RNA) where: Base-Base interactions energy: -365.554 where: short stacking energy: -191.078 Base-Backbone interact. energy: -0.539 local terms energy: -239.712347 where: bonds (distance) C4'-P energy: -55.842 bonds (distance) P-C4' energy: -51.398 flat angles C4'-P-C4' energy: -71.813 flat angles P-C4'-P energy: -29.466 tors. eta vs tors. theta energy: -31.193 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: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -425.640644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.640644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.640644 (E_RNA) where: Base-Base interactions energy: -216.615 where: short stacking energy: -135.996 Base-Backbone interact. energy: 4.567 local terms energy: -213.592209 where: bonds (distance) C4'-P energy: -62.509 bonds (distance) P-C4' energy: -49.832 flat angles C4'-P-C4' energy: -51.120 flat angles P-C4'-P energy: -37.832 tors. eta vs tors. theta energy: -12.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -289.114064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.114064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.114064 (E_RNA) where: Base-Base interactions energy: -122.661 where: short stacking energy: -88.467 Base-Backbone interact. energy: 6.441 local terms energy: -172.894040 where: bonds (distance) C4'-P energy: -54.763 bonds (distance) P-C4' energy: -58.217 flat angles C4'-P-C4' energy: -36.050 flat angles P-C4'-P energy: -30.340 tors. eta vs tors. theta energy: 6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1156.867261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.867261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.867261 (E_RNA) where: Base-Base interactions energy: -764.985 where: short stacking energy: -365.165 Base-Backbone interact. energy: -0.408 local terms energy: -391.474250 where: bonds (distance) C4'-P energy: -72.019 bonds (distance) P-C4' energy: -74.898 flat angles C4'-P-C4' energy: -80.496 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -112.751 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: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1140.940635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.940635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.940635 (E_RNA) where: Base-Base interactions energy: -764.027 where: short stacking energy: -356.861 Base-Backbone interact. energy: -1.101 local terms energy: -375.812504 where: bonds (distance) C4'-P energy: -67.541 bonds (distance) P-C4' energy: -74.478 flat angles C4'-P-C4' energy: -74.852 flat angles P-C4'-P energy: -53.394 tors. eta vs tors. theta energy: -105.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1057.385977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.385977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.385977 (E_RNA) where: Base-Base interactions energy: -702.570 where: short stacking energy: -342.896 Base-Backbone interact. energy: -1.303 local terms energy: -353.512154 where: bonds (distance) C4'-P energy: -61.127 bonds (distance) P-C4' energy: -68.972 flat angles C4'-P-C4' energy: -77.843 flat angles P-C4'-P energy: -47.715 tors. eta vs tors. theta energy: -97.855 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: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -978.833138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.833138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.833138 (E_RNA) where: Base-Base interactions energy: -656.605 where: short stacking energy: -296.644 Base-Backbone interact. energy: -0.816 local terms energy: -321.412075 where: bonds (distance) C4'-P energy: -62.207 bonds (distance) P-C4' energy: -67.824 flat angles C4'-P-C4' energy: -68.540 flat angles P-C4'-P energy: -37.554 tors. eta vs tors. theta energy: -85.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -788.686259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.686259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.686259 (E_RNA) where: Base-Base interactions energy: -487.521 where: short stacking energy: -232.564 Base-Backbone interact. energy: 1.436 local terms energy: -302.601260 where: bonds (distance) C4'-P energy: -63.721 bonds (distance) P-C4' energy: -68.378 flat angles C4'-P-C4' energy: -69.824 flat angles P-C4'-P energy: -39.580 tors. eta vs tors. theta energy: -61.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -800.692104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.692104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.692104 (E_RNA) where: Base-Base interactions energy: -527.533 where: short stacking energy: -261.360 Base-Backbone interact. energy: -0.128 local terms energy: -273.030726 where: bonds (distance) C4'-P energy: -52.660 bonds (distance) P-C4' energy: -60.063 flat angles C4'-P-C4' energy: -58.564 flat angles P-C4'-P energy: -39.790 tors. eta vs tors. theta energy: -61.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -693.543097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.543097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.543097 (E_RNA) where: Base-Base interactions energy: -432.857 where: short stacking energy: -211.931 Base-Backbone interact. energy: -1.968 local terms energy: -258.717301 where: bonds (distance) C4'-P energy: -68.256 bonds (distance) P-C4' energy: -61.177 flat angles C4'-P-C4' energy: -57.033 flat angles P-C4'-P energy: -32.832 tors. eta vs tors. theta energy: -39.420 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: 7 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -668.010931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.010931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.010931 (E_RNA) where: Base-Base interactions energy: -418.442 where: short stacking energy: -199.213 Base-Backbone interact. energy: -1.149 local terms energy: -248.419898 where: bonds (distance) C4'-P energy: -61.947 bonds (distance) P-C4' energy: -59.117 flat angles C4'-P-C4' energy: -52.101 flat angles P-C4'-P energy: -42.357 tors. eta vs tors. theta energy: -32.898 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: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -439.878865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.878865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.878865 (E_RNA) where: Base-Base interactions energy: -240.030 where: short stacking energy: -134.137 Base-Backbone interact. energy: 2.270 local terms energy: -202.119345 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -52.475 flat angles P-C4'-P energy: -24.445 tors. eta vs tors. theta energy: 0.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -341.100747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.100747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.100747 (E_RNA) where: Base-Base interactions energy: -152.802 where: short stacking energy: -86.725 Base-Backbone interact. energy: 1.808 local terms energy: -190.106838 where: bonds (distance) C4'-P energy: -49.869 bonds (distance) P-C4' energy: -62.103 flat angles C4'-P-C4' energy: -46.675 flat angles P-C4'-P energy: -34.448 tors. eta vs tors. theta energy: 2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1157.887924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.887924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.887924 (E_RNA) where: Base-Base interactions energy: -770.406 where: short stacking energy: -355.109 Base-Backbone interact. energy: -0.832 local terms energy: -386.650307 where: bonds (distance) C4'-P energy: -60.489 bonds (distance) P-C4' energy: -76.668 flat angles C4'-P-C4' energy: -81.587 flat angles P-C4'-P energy: -59.755 tors. eta vs tors. theta energy: -108.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1123.331923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.331923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.331923 (E_RNA) where: Base-Base interactions energy: -757.163 where: short stacking energy: -350.660 Base-Backbone interact. energy: -1.288 local terms energy: -364.880949 where: bonds (distance) C4'-P energy: -68.218 bonds (distance) P-C4' energy: -70.069 flat angles C4'-P-C4' energy: -75.470 flat angles P-C4'-P energy: -43.767 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: 3, replica: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1055.137046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.137046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.137046 (E_RNA) where: Base-Base interactions energy: -727.320 where: short stacking energy: -340.028 Base-Backbone interact. energy: -0.871 local terms energy: -326.945587 where: bonds (distance) C4'-P energy: -63.502 bonds (distance) P-C4' energy: -58.665 flat angles C4'-P-C4' energy: -75.344 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: -84.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -958.653649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.653649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.653649 (E_RNA) where: Base-Base interactions energy: -654.652 where: short stacking energy: -281.732 Base-Backbone interact. energy: -1.031 local terms energy: -302.970785 where: bonds (distance) C4'-P energy: -67.998 bonds (distance) P-C4' energy: -51.385 flat angles C4'-P-C4' energy: -58.680 flat angles P-C4'-P energy: -51.136 tors. eta vs tors. theta energy: -73.772 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: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -814.336921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.336921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.336921 (E_RNA) where: Base-Base interactions energy: -509.943 where: short stacking energy: -253.134 Base-Backbone interact. energy: -1.346 local terms energy: -303.048640 where: bonds (distance) C4'-P energy: -71.251 bonds (distance) P-C4' energy: -60.072 flat angles C4'-P-C4' energy: -62.684 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: -61.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -693.411378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.411378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.411378 (E_RNA) where: Base-Base interactions energy: -417.680 where: short stacking energy: -214.430 Base-Backbone interact. energy: 0.440 local terms energy: -276.171783 where: bonds (distance) C4'-P energy: -60.272 bonds (distance) P-C4' energy: -67.235 flat angles C4'-P-C4' energy: -66.002 flat angles P-C4'-P energy: -43.031 tors. eta vs tors. theta energy: -39.633 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: 8 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -775.274739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.274739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.274739 (E_RNA) where: Base-Base interactions energy: -488.525 where: short stacking energy: -252.382 Base-Backbone interact. energy: 1.167 local terms energy: -287.917169 where: bonds (distance) C4'-P energy: -53.840 bonds (distance) P-C4' energy: -70.272 flat angles C4'-P-C4' energy: -57.458 flat angles P-C4'-P energy: -34.272 tors. eta vs tors. theta energy: -72.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -696.144129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.144129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.144129 (E_RNA) where: Base-Base interactions energy: -428.703 where: short stacking energy: -225.431 Base-Backbone interact. energy: 0.045 local terms energy: -267.486007 where: bonds (distance) C4'-P energy: -41.157 bonds (distance) P-C4' energy: -63.744 flat angles C4'-P-C4' energy: -63.393 flat angles P-C4'-P energy: -43.530 tors. eta vs tors. theta energy: -55.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -421.482188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.482188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.482188 (E_RNA) where: Base-Base interactions energy: -204.045 where: short stacking energy: -126.219 Base-Backbone interact. energy: 0.792 local terms energy: -218.228791 where: bonds (distance) C4'-P energy: -58.490 bonds (distance) P-C4' energy: -64.089 flat angles C4'-P-C4' energy: -63.750 flat angles P-C4'-P energy: -21.313 tors. eta vs tors. theta energy: -10.587 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: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -375.679820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.679820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.679820 (E_RNA) where: Base-Base interactions energy: -170.735 where: short stacking energy: -105.504 Base-Backbone interact. energy: -1.665 local terms energy: -203.280455 where: bonds (distance) C4'-P energy: -68.567 bonds (distance) P-C4' energy: -52.401 flat angles C4'-P-C4' energy: -50.047 flat angles P-C4'-P energy: -24.223 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1168.740588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.740588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.740588 (E_RNA) where: Base-Base interactions energy: -792.201 where: short stacking energy: -373.935 Base-Backbone interact. energy: -0.126 local terms energy: -376.413793 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -60.226 flat angles C4'-P-C4' energy: -79.429 flat angles P-C4'-P energy: -55.074 tors. eta vs tors. theta energy: -114.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1109.578871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.578871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.578871 (E_RNA) where: Base-Base interactions energy: -732.145 where: short stacking energy: -328.267 Base-Backbone interact. energy: 1.039 local terms energy: -378.472527 where: bonds (distance) C4'-P energy: -74.278 bonds (distance) P-C4' energy: -75.507 flat angles C4'-P-C4' energy: -79.027 flat angles P-C4'-P energy: -43.595 tors. eta vs tors. theta energy: -106.065 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: 3, replica: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1078.983469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.983469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.983469 (E_RNA) where: Base-Base interactions energy: -752.099 where: short stacking energy: -356.211 Base-Backbone interact. energy: 9.854 local terms energy: -336.739014 where: bonds (distance) C4'-P energy: -53.538 bonds (distance) P-C4' energy: -56.218 flat angles C4'-P-C4' energy: -72.484 flat angles P-C4'-P energy: -53.717 tors. eta vs tors. theta energy: -100.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1005.250205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.250205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.250205 (E_RNA) where: Base-Base interactions energy: -666.079 where: short stacking energy: -315.849 Base-Backbone interact. energy: -0.372 local terms energy: -338.799541 where: bonds (distance) C4'-P energy: -75.093 bonds (distance) P-C4' energy: -63.570 flat angles C4'-P-C4' energy: -67.473 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: -90.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -797.152287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.152287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.152287 (E_RNA) where: Base-Base interactions energy: -528.076 where: short stacking energy: -261.757 Base-Backbone interact. energy: 0.283 local terms energy: -269.358769 where: bonds (distance) C4'-P energy: -58.513 bonds (distance) P-C4' energy: -56.988 flat angles C4'-P-C4' energy: -50.788 flat angles P-C4'-P energy: -37.956 tors. eta vs tors. theta energy: -65.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -715.786782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.786782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.786782 (E_RNA) where: Base-Base interactions energy: -437.203 where: short stacking energy: -226.518 Base-Backbone interact. energy: -1.760 local terms energy: -276.823477 where: bonds (distance) C4'-P energy: -61.743 bonds (distance) P-C4' energy: -56.605 flat angles C4'-P-C4' energy: -73.366 flat angles P-C4'-P energy: -38.994 tors. eta vs tors. theta energy: -46.116 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: 8 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -778.580829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.580829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.580829 (E_RNA) where: Base-Base interactions energy: -486.828 where: short stacking energy: -240.779 Base-Backbone interact. energy: 1.065 local terms energy: -292.817194 where: bonds (distance) C4'-P energy: -67.305 bonds (distance) P-C4' energy: -57.414 flat angles C4'-P-C4' energy: -65.639 flat angles P-C4'-P energy: -45.208 tors. eta vs tors. theta energy: -57.251 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: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -674.284153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.284153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.284153 (E_RNA) where: Base-Base interactions energy: -406.165 where: short stacking energy: -200.793 Base-Backbone interact. energy: -0.375 local terms energy: -267.744768 where: bonds (distance) C4'-P energy: -63.354 bonds (distance) P-C4' energy: -59.324 flat angles C4'-P-C4' energy: -54.913 flat angles P-C4'-P energy: -43.700 tors. eta vs tors. theta energy: -46.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -413.510246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.510246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.510246 (E_RNA) where: Base-Base interactions energy: -191.577 where: short stacking energy: -108.263 Base-Backbone interact. energy: 0.829 local terms energy: -222.762742 where: bonds (distance) C4'-P energy: -63.087 bonds (distance) P-C4' energy: -54.543 flat angles C4'-P-C4' energy: -50.845 flat angles P-C4'-P energy: -42.605 tors. eta vs tors. theta energy: -11.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -417.903163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.903163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.903163 (E_RNA) where: Base-Base interactions energy: -226.828 where: short stacking energy: -143.958 Base-Backbone interact. energy: -0.069 local terms energy: -191.005435 where: bonds (distance) C4'-P energy: -47.557 bonds (distance) P-C4' energy: -48.561 flat angles C4'-P-C4' energy: -53.971 flat angles P-C4'-P energy: -26.643 tors. eta vs tors. theta energy: -14.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1174.260562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.260562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.260562 (E_RNA) where: Base-Base interactions energy: -791.606 where: short stacking energy: -388.430 Base-Backbone interact. energy: -0.360 local terms energy: -382.294125 where: bonds (distance) C4'-P energy: -69.647 bonds (distance) P-C4' energy: -62.395 flat angles C4'-P-C4' energy: -83.081 flat angles P-C4'-P energy: -56.263 tors. eta vs tors. theta energy: -110.907 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: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1135.346423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.346423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.346423 (E_RNA) where: Base-Base interactions energy: -777.190 where: short stacking energy: -341.266 Base-Backbone interact. energy: 0.005 local terms energy: -358.161503 where: bonds (distance) C4'-P energy: -65.371 bonds (distance) P-C4' energy: -64.627 flat angles C4'-P-C4' energy: -74.159 flat angles P-C4'-P energy: -48.953 tors. eta vs tors. theta energy: -105.051 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: 413 Temperature: 1.000000 Total energy: -1068.439487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.439487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.439487 (E_RNA) where: Base-Base interactions energy: -720.464 where: short stacking energy: -339.124 Base-Backbone interact. energy: 1.156 local terms energy: -349.131469 where: bonds (distance) C4'-P energy: -60.218 bonds (distance) P-C4' energy: -66.945 flat angles C4'-P-C4' energy: -78.842 flat angles P-C4'-P energy: -54.386 tors. eta vs tors. theta energy: -88.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -983.537470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.537470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.537470 (E_RNA) where: Base-Base interactions energy: -651.274 where: short stacking energy: -302.480 Base-Backbone interact. energy: -1.517 local terms energy: -330.746885 where: bonds (distance) C4'-P energy: -58.720 bonds (distance) P-C4' energy: -68.751 flat angles C4'-P-C4' energy: -73.014 flat angles P-C4'-P energy: -40.306 tors. eta vs tors. theta energy: -89.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -801.891011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.891011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.891011 (E_RNA) where: Base-Base interactions energy: -505.669 where: short stacking energy: -234.461 Base-Backbone interact. energy: -0.214 local terms energy: -296.007822 where: bonds (distance) C4'-P energy: -58.850 bonds (distance) P-C4' energy: -63.025 flat angles C4'-P-C4' energy: -65.818 flat angles P-C4'-P energy: -49.020 tors. eta vs tors. theta energy: -59.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -822.706092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.706092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.706092 (E_RNA) where: Base-Base interactions energy: -527.299 where: short stacking energy: -249.466 Base-Backbone interact. energy: 0.046 local terms energy: -295.453467 where: bonds (distance) C4'-P energy: -63.373 bonds (distance) P-C4' energy: -67.837 flat angles C4'-P-C4' energy: -61.529 flat angles P-C4'-P energy: -34.741 tors. eta vs tors. theta energy: -67.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -684.960251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.960251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.960251 (E_RNA) where: Base-Base interactions energy: -411.657 where: short stacking energy: -203.270 Base-Backbone interact. energy: -0.613 local terms energy: -272.690364 where: bonds (distance) C4'-P energy: -59.151 bonds (distance) P-C4' energy: -63.298 flat angles C4'-P-C4' energy: -60.532 flat angles P-C4'-P energy: -43.140 tors. eta vs tors. theta energy: -46.569 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: 413 Temperature: 1.250000 Total energy: -657.097474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.097474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.097474 (E_RNA) where: Base-Base interactions energy: -384.342 where: short stacking energy: -211.446 Base-Backbone interact. energy: 0.563 local terms energy: -273.318637 where: bonds (distance) C4'-P energy: -49.768 bonds (distance) P-C4' energy: -67.227 flat angles C4'-P-C4' energy: -51.971 flat angles P-C4'-P energy: -41.214 tors. eta vs tors. theta energy: -63.139 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: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -443.402672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.402672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.402672 (E_RNA) where: Base-Base interactions energy: -236.347 where: short stacking energy: -120.936 Base-Backbone interact. energy: 0.930 local terms energy: -207.985698 where: bonds (distance) C4'-P energy: -61.900 bonds (distance) P-C4' energy: -63.875 flat angles C4'-P-C4' energy: -48.275 flat angles P-C4'-P energy: -21.598 tors. eta vs tors. theta energy: -12.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -378.578144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.578144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.578144 (E_RNA) where: Base-Base interactions energy: -203.277 where: short stacking energy: -96.045 Base-Backbone interact. energy: 6.159 local terms energy: -181.460593 where: bonds (distance) C4'-P energy: -41.469 bonds (distance) P-C4' energy: -67.300 flat angles C4'-P-C4' energy: -39.043 flat angles P-C4'-P energy: -30.440 tors. eta vs tors. theta energy: -3.208 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: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1180.948753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.948753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.948753 (E_RNA) where: Base-Base interactions energy: -789.353 where: short stacking energy: -374.853 Base-Backbone interact. energy: 0.286 local terms energy: -391.881699 where: bonds (distance) C4'-P energy: -74.397 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -82.858 flat angles P-C4'-P energy: -61.307 tors. eta vs tors. theta energy: -104.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1138.708364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.708364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.708364 (E_RNA) where: Base-Base interactions energy: -780.990 where: short stacking energy: -363.604 Base-Backbone interact. energy: 0.351 local terms energy: -358.068478 where: bonds (distance) C4'-P energy: -54.324 bonds (distance) P-C4' energy: -61.122 flat angles C4'-P-C4' energy: -74.529 flat angles P-C4'-P energy: -55.397 tors. eta vs tors. theta energy: -112.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1064.324146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.324146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.324146 (E_RNA) where: Base-Base interactions energy: -720.147 where: short stacking energy: -339.519 Base-Backbone interact. energy: -0.510 local terms energy: -343.667063 where: bonds (distance) C4'-P energy: -59.489 bonds (distance) P-C4' energy: -70.016 flat angles C4'-P-C4' energy: -72.045 flat angles P-C4'-P energy: -49.316 tors. eta vs tors. theta energy: -92.800 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: 414 Temperature: 1.050000 Total energy: -987.742083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.742083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.742083 (E_RNA) where: Base-Base interactions energy: -651.216 where: short stacking energy: -312.111 Base-Backbone interact. energy: 0.424 local terms energy: -336.950418 where: bonds (distance) C4'-P energy: -70.428 bonds (distance) P-C4' energy: -64.339 flat angles C4'-P-C4' energy: -74.537 flat angles P-C4'-P energy: -44.930 tors. eta vs tors. theta energy: -82.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -841.430750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.430750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.430750 (E_RNA) where: Base-Base interactions energy: -536.692 where: short stacking energy: -258.668 Base-Backbone interact. energy: 0.089 local terms energy: -304.827202 where: bonds (distance) C4'-P energy: -62.619 bonds (distance) P-C4' energy: -64.312 flat angles C4'-P-C4' energy: -70.481 flat angles P-C4'-P energy: -45.876 tors. eta vs tors. theta energy: -61.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -746.059556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.059556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.059556 (E_RNA) where: Base-Base interactions energy: -492.004 where: short stacking energy: -227.747 Base-Backbone interact. energy: -0.565 local terms energy: -253.490543 where: bonds (distance) C4'-P energy: -56.716 bonds (distance) P-C4' energy: -47.735 flat angles C4'-P-C4' energy: -61.474 flat angles P-C4'-P energy: -36.929 tors. eta vs tors. theta energy: -50.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -632.812722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.812722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.812722 (E_RNA) where: Base-Base interactions energy: -386.974 where: short stacking energy: -213.414 Base-Backbone interact. energy: -0.866 local terms energy: -244.972651 where: bonds (distance) C4'-P energy: -58.893 bonds (distance) P-C4' energy: -54.656 flat angles C4'-P-C4' energy: -54.969 flat angles P-C4'-P energy: -32.273 tors. eta vs tors. theta energy: -44.182 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: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -602.876601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.876601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.876601 (E_RNA) where: Base-Base interactions energy: -358.781 where: short stacking energy: -179.255 Base-Backbone interact. energy: -0.013 local terms energy: -244.083337 where: bonds (distance) C4'-P energy: -67.714 bonds (distance) P-C4' energy: -57.211 flat angles C4'-P-C4' energy: -51.541 flat angles P-C4'-P energy: -34.636 tors. eta vs tors. theta energy: -32.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -432.493335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.493335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.493335 (E_RNA) where: Base-Base interactions energy: -213.337 where: short stacking energy: -132.202 Base-Backbone interact. energy: -0.777 local terms energy: -218.379142 where: bonds (distance) C4'-P energy: -62.260 bonds (distance) P-C4' energy: -60.705 flat angles C4'-P-C4' energy: -58.381 flat angles P-C4'-P energy: -33.496 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -366.022669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.022669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.022669 (E_RNA) where: Base-Base interactions energy: -177.370 where: short stacking energy: -102.594 Base-Backbone interact. energy: -1.963 local terms energy: -186.689506 where: bonds (distance) C4'-P energy: -44.952 bonds (distance) P-C4' energy: -66.047 flat angles C4'-P-C4' energy: -51.430 flat angles P-C4'-P energy: -32.096 tors. eta vs tors. theta energy: 7.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1155.920087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.920087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.920087 (E_RNA) where: Base-Base interactions energy: -780.374 where: short stacking energy: -372.761 Base-Backbone interact. energy: -1.469 local terms energy: -374.076259 where: bonds (distance) C4'-P energy: -61.937 bonds (distance) P-C4' energy: -71.496 flat angles C4'-P-C4' energy: -74.698 flat angles P-C4'-P energy: -58.135 tors. eta vs tors. theta energy: -107.810 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: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1128.530240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.530240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.530240 (E_RNA) where: Base-Base interactions energy: -764.808 where: short stacking energy: -352.206 Base-Backbone interact. energy: -1.775 local terms energy: -361.947199 where: bonds (distance) C4'-P energy: -59.085 bonds (distance) P-C4' energy: -66.793 flat angles C4'-P-C4' energy: -72.112 flat angles P-C4'-P energy: -56.660 tors. eta vs tors. theta energy: -107.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1076.255381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.255381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.255381 (E_RNA) where: Base-Base interactions energy: -714.867 where: short stacking energy: -334.551 Base-Backbone interact. energy: -0.723 local terms energy: -360.665358 where: bonds (distance) C4'-P energy: -68.834 bonds (distance) P-C4' energy: -74.914 flat angles C4'-P-C4' energy: -76.438 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -96.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -979.123087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.123087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.123087 (E_RNA) where: Base-Base interactions energy: -654.449 where: short stacking energy: -304.220 Base-Backbone interact. energy: -0.947 local terms energy: -323.727348 where: bonds (distance) C4'-P energy: -65.278 bonds (distance) P-C4' energy: -59.226 flat angles C4'-P-C4' energy: -73.592 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -80.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -839.074110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.074110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.074110 (E_RNA) where: Base-Base interactions energy: -535.881 where: short stacking energy: -265.494 Base-Backbone interact. energy: 0.312 local terms energy: -303.505308 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -65.965 flat angles C4'-P-C4' energy: -66.112 flat angles P-C4'-P energy: -46.966 tors. eta vs tors. theta energy: -60.543 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: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -730.946007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.946007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.946007 (E_RNA) where: Base-Base interactions energy: -453.297 where: short stacking energy: -214.123 Base-Backbone interact. energy: 2.102 local terms energy: -279.751480 where: bonds (distance) C4'-P energy: -58.483 bonds (distance) P-C4' energy: -72.092 flat angles C4'-P-C4' energy: -65.112 flat angles P-C4'-P energy: -38.302 tors. eta vs tors. theta energy: -45.763 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: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -647.097945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.097945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.097945 (E_RNA) where: Base-Base interactions energy: -382.726 where: short stacking energy: -215.252 Base-Backbone interact. energy: -0.949 local terms energy: -263.422358 where: bonds (distance) C4'-P energy: -57.529 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -61.960 flat angles P-C4'-P energy: -29.634 tors. eta vs tors. theta energy: -52.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -592.214430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.214430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.214430 (E_RNA) where: Base-Base interactions energy: -334.079 where: short stacking energy: -178.211 Base-Backbone interact. energy: -0.249 local terms energy: -257.886273 where: bonds (distance) C4'-P energy: -49.061 bonds (distance) P-C4' energy: -59.467 flat angles C4'-P-C4' energy: -67.344 flat angles P-C4'-P energy: -40.811 tors. eta vs tors. theta energy: -41.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -501.962674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.962674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.962674 (E_RNA) where: Base-Base interactions energy: -280.991 where: short stacking energy: -148.774 Base-Backbone interact. energy: 1.091 local terms energy: -222.063140 where: bonds (distance) C4'-P energy: -46.381 bonds (distance) P-C4' energy: -61.045 flat angles C4'-P-C4' energy: -54.887 flat angles P-C4'-P energy: -34.115 tors. eta vs tors. theta energy: -25.635 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: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -392.395865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.395865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.395865 (E_RNA) where: Base-Base interactions energy: -185.876 where: short stacking energy: -109.773 Base-Backbone interact. energy: 3.642 local terms energy: -210.162449 where: bonds (distance) C4'-P energy: -62.416 bonds (distance) P-C4' energy: -61.970 flat angles C4'-P-C4' energy: -48.798 flat angles P-C4'-P energy: -30.061 tors. eta vs tors. theta energy: -6.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1149.739116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.739116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.739116 (E_RNA) where: Base-Base interactions energy: -759.428 where: short stacking energy: -363.739 Base-Backbone interact. energy: -0.110 local terms energy: -390.200822 where: bonds (distance) C4'-P energy: -74.078 bonds (distance) P-C4' energy: -71.883 flat angles C4'-P-C4' energy: -81.214 flat angles P-C4'-P energy: -53.979 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: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1164.989406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.989406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.989406 (E_RNA) where: Base-Base interactions energy: -780.038 where: short stacking energy: -359.923 Base-Backbone interact. energy: -0.474 local terms energy: -384.477514 where: bonds (distance) C4'-P energy: -69.802 bonds (distance) P-C4' energy: -77.954 flat angles C4'-P-C4' energy: -74.448 flat angles P-C4'-P energy: -52.028 tors. eta vs tors. theta energy: -110.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1082.958108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.958108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.958108 (E_RNA) where: Base-Base interactions energy: -725.102 where: short stacking energy: -347.286 Base-Backbone interact. energy: 2.216 local terms energy: -360.071748 where: bonds (distance) C4'-P energy: -70.982 bonds (distance) P-C4' energy: -70.092 flat angles C4'-P-C4' energy: -74.107 flat angles P-C4'-P energy: -48.238 tors. eta vs tors. theta energy: -96.653 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: 416 Temperature: 1.050000 Total energy: -992.442141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.442141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.442141 (E_RNA) where: Base-Base interactions energy: -664.240 where: short stacking energy: -305.957 Base-Backbone interact. energy: -1.845 local terms energy: -326.357708 where: bonds (distance) C4'-P energy: -60.273 bonds (distance) P-C4' energy: -68.107 flat angles C4'-P-C4' energy: -64.870 flat angles P-C4'-P energy: -51.349 tors. eta vs tors. theta energy: -81.759 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: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -838.994972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.994972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.994972 (E_RNA) where: Base-Base interactions energy: -520.357 where: short stacking energy: -243.928 Base-Backbone interact. energy: -0.262 local terms energy: -318.376325 where: bonds (distance) C4'-P energy: -75.607 bonds (distance) P-C4' energy: -58.975 flat angles C4'-P-C4' energy: -71.651 flat angles P-C4'-P energy: -39.832 tors. eta vs tors. theta energy: -72.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -748.691454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.691454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.691454 (E_RNA) where: Base-Base interactions energy: -472.134 where: short stacking energy: -223.214 Base-Backbone interact. energy: -0.998 local terms energy: -275.559479 where: bonds (distance) C4'-P energy: -67.499 bonds (distance) P-C4' energy: -61.920 flat angles C4'-P-C4' energy: -57.436 flat angles P-C4'-P energy: -35.097 tors. eta vs tors. theta energy: -53.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -694.461317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.461317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.461317 (E_RNA) where: Base-Base interactions energy: -440.863 where: short stacking energy: -216.083 Base-Backbone interact. energy: -0.431 local terms energy: -253.167276 where: bonds (distance) C4'-P energy: -56.310 bonds (distance) P-C4' energy: -56.037 flat angles C4'-P-C4' energy: -55.427 flat angles P-C4'-P energy: -41.694 tors. eta vs tors. theta energy: -43.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -581.810945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.810945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.810945 (E_RNA) where: Base-Base interactions energy: -341.780 where: short stacking energy: -152.186 Base-Backbone interact. energy: 3.100 local terms energy: -243.131400 where: bonds (distance) C4'-P energy: -57.449 bonds (distance) P-C4' energy: -70.345 flat angles C4'-P-C4' energy: -53.223 flat angles P-C4'-P energy: -35.028 tors. eta vs tors. theta energy: -27.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -490.028555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.028555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.028555 (E_RNA) where: Base-Base interactions energy: -247.394 where: short stacking energy: -138.183 Base-Backbone interact. energy: 2.078 local terms energy: -244.712713 where: bonds (distance) C4'-P energy: -66.973 bonds (distance) P-C4' energy: -62.480 flat angles C4'-P-C4' energy: -60.688 flat angles P-C4'-P energy: -28.246 tors. eta vs tors. theta energy: -26.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -398.139650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.139650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.139650 (E_RNA) where: Base-Base interactions energy: -220.265 where: short stacking energy: -101.595 Base-Backbone interact. energy: 0.428 local terms energy: -178.302389 where: bonds (distance) C4'-P energy: -53.076 bonds (distance) P-C4' energy: -54.012 flat angles C4'-P-C4' energy: -43.414 flat angles P-C4'-P energy: -30.420 tors. eta vs tors. theta energy: 2.619 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: 1, replica: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1137.385641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.385641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.385641 (E_RNA) where: Base-Base interactions energy: -778.540 where: short stacking energy: -368.289 Base-Backbone interact. energy: 0.103 local terms energy: -358.948481 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -59.762 flat angles C4'-P-C4' energy: -75.936 flat angles P-C4'-P energy: -54.610 tors. eta vs tors. theta energy: -108.309 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: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1124.468899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.468899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.468899 (E_RNA) where: Base-Base interactions energy: -759.523 where: short stacking energy: -363.438 Base-Backbone interact. energy: 0.083 local terms energy: -365.028921 where: bonds (distance) C4'-P energy: -61.808 bonds (distance) P-C4' energy: -71.481 flat angles C4'-P-C4' energy: -73.180 flat angles P-C4'-P energy: -52.872 tors. eta vs tors. theta energy: -105.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1050.498309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.498309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.498309 (E_RNA) where: Base-Base interactions energy: -716.294 where: short stacking energy: -326.662 Base-Backbone interact. energy: -0.440 local terms energy: -333.764851 where: bonds (distance) C4'-P energy: -67.045 bonds (distance) P-C4' energy: -67.762 flat angles C4'-P-C4' energy: -73.826 flat angles P-C4'-P energy: -37.023 tors. eta vs tors. theta energy: -88.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1039.510997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.510997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.510997 (E_RNA) where: Base-Base interactions energy: -695.826 where: short stacking energy: -325.795 Base-Backbone interact. energy: -2.205 local terms energy: -341.479610 where: bonds (distance) C4'-P energy: -68.459 bonds (distance) P-C4' energy: -65.074 flat angles C4'-P-C4' energy: -69.965 flat angles P-C4'-P energy: -48.316 tors. eta vs tors. theta energy: -89.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -881.163154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.163154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.163154 (E_RNA) where: Base-Base interactions energy: -575.809 where: short stacking energy: -283.989 Base-Backbone interact. energy: 1.102 local terms energy: -306.456412 where: bonds (distance) C4'-P energy: -55.531 bonds (distance) P-C4' energy: -60.064 flat angles C4'-P-C4' energy: -68.200 flat angles P-C4'-P energy: -45.938 tors. eta vs tors. theta energy: -76.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -759.714381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.714381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.714381 (E_RNA) where: Base-Base interactions energy: -485.820 where: short stacking energy: -247.696 Base-Backbone interact. energy: -2.635 local terms energy: -271.259336 where: bonds (distance) C4'-P energy: -51.323 bonds (distance) P-C4' energy: -54.524 flat angles C4'-P-C4' energy: -64.600 flat angles P-C4'-P energy: -49.919 tors. eta vs tors. theta energy: -50.893 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: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -677.442164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.442164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.442164 (E_RNA) where: Base-Base interactions energy: -417.369 where: short stacking energy: -191.627 Base-Backbone interact. energy: 0.036 local terms energy: -260.109767 where: bonds (distance) C4'-P energy: -46.713 bonds (distance) P-C4' energy: -62.777 flat angles C4'-P-C4' energy: -66.186 flat angles P-C4'-P energy: -42.221 tors. eta vs tors. theta energy: -42.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -584.082233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.082233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.082233 (E_RNA) where: Base-Base interactions energy: -352.438 where: short stacking energy: -186.994 Base-Backbone interact. energy: -1.355 local terms energy: -230.289667 where: bonds (distance) C4'-P energy: -55.760 bonds (distance) P-C4' energy: -52.295 flat angles C4'-P-C4' energy: -59.386 flat angles P-C4'-P energy: -38.334 tors. eta vs tors. theta energy: -24.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -514.068252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.068252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.068252 (E_RNA) where: Base-Base interactions energy: -292.141 where: short stacking energy: -141.927 Base-Backbone interact. energy: -0.029 local terms energy: -221.898556 where: bonds (distance) C4'-P energy: -56.612 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -52.057 flat angles P-C4'-P energy: -36.015 tors. eta vs tors. theta energy: -18.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -303.371368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.371368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.371368 (E_RNA) where: Base-Base interactions energy: -131.284 where: short stacking energy: -92.560 Base-Backbone interact. energy: 0.663 local terms energy: -172.750163 where: bonds (distance) C4'-P energy: -45.407 bonds (distance) P-C4' energy: -60.231 flat angles C4'-P-C4' energy: -43.251 flat angles P-C4'-P energy: -15.770 tors. eta vs tors. theta energy: -8.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1161.802459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.802459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.802459 (E_RNA) where: Base-Base interactions energy: -772.859 where: short stacking energy: -386.854 Base-Backbone interact. energy: -0.209 local terms energy: -388.735185 where: bonds (distance) C4'-P energy: -73.903 bonds (distance) P-C4' energy: -65.384 flat angles C4'-P-C4' energy: -86.489 flat angles P-C4'-P energy: -49.208 tors. eta vs tors. theta energy: -113.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1120.976411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.976411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.976411 (E_RNA) where: Base-Base interactions energy: -754.389 where: short stacking energy: -348.471 Base-Backbone interact. energy: -0.206 local terms energy: -366.381555 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -77.218 flat angles C4'-P-C4' energy: -72.458 flat angles P-C4'-P energy: -50.976 tors. eta vs tors. theta energy: -101.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1032.606245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.606245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.606245 (E_RNA) where: Base-Base interactions energy: -689.791 where: short stacking energy: -318.755 Base-Backbone interact. energy: -0.255 local terms energy: -342.560404 where: bonds (distance) C4'-P energy: -70.640 bonds (distance) P-C4' energy: -75.496 flat angles C4'-P-C4' energy: -64.935 flat angles P-C4'-P energy: -50.837 tors. eta vs tors. theta energy: -80.653 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: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -998.813398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.813398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.813398 (E_RNA) where: Base-Base interactions energy: -688.847 where: short stacking energy: -307.452 Base-Backbone interact. energy: 6.278 local terms energy: -316.244325 where: bonds (distance) C4'-P energy: -63.823 bonds (distance) P-C4' energy: -48.110 flat angles C4'-P-C4' energy: -74.598 flat angles P-C4'-P energy: -40.649 tors. eta vs tors. theta energy: -89.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -875.948085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.948085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.948085 (E_RNA) where: Base-Base interactions energy: -556.558 where: short stacking energy: -270.608 Base-Backbone interact. energy: 1.471 local terms energy: -320.860558 where: bonds (distance) C4'-P energy: -55.373 bonds (distance) P-C4' energy: -72.437 flat angles C4'-P-C4' energy: -69.172 flat angles P-C4'-P energy: -45.085 tors. eta vs tors. theta energy: -78.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -781.679217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.679217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.679217 (E_RNA) where: Base-Base interactions energy: -503.783 where: short stacking energy: -240.277 Base-Backbone interact. energy: -1.201 local terms energy: -276.695668 where: bonds (distance) C4'-P energy: -51.506 bonds (distance) P-C4' energy: -58.087 flat angles C4'-P-C4' energy: -64.945 flat angles P-C4'-P energy: -39.463 tors. eta vs tors. theta energy: -62.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -745.346514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.346514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.346514 (E_RNA) where: Base-Base interactions energy: -479.943 where: short stacking energy: -223.744 Base-Backbone interact. energy: -0.662 local terms energy: -264.741473 where: bonds (distance) C4'-P energy: -58.542 bonds (distance) P-C4' energy: -65.884 flat angles C4'-P-C4' energy: -48.509 flat angles P-C4'-P energy: -41.335 tors. eta vs tors. theta energy: -50.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -555.567231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.567231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.567231 (E_RNA) where: Base-Base interactions energy: -315.192 where: short stacking energy: -160.679 Base-Backbone interact. energy: -0.356 local terms energy: -240.019739 where: bonds (distance) C4'-P energy: -53.602 bonds (distance) P-C4' energy: -58.721 flat angles C4'-P-C4' energy: -59.662 flat angles P-C4'-P energy: -34.233 tors. eta vs tors. theta energy: -33.802 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: 9, replica: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -486.903883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.903883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.903883 (E_RNA) where: Base-Base interactions energy: -245.184 where: short stacking energy: -135.583 Base-Backbone interact. energy: -0.621 local terms energy: -241.099047 where: bonds (distance) C4'-P energy: -66.467 bonds (distance) P-C4' energy: -63.027 flat angles C4'-P-C4' energy: -50.707 flat angles P-C4'-P energy: -43.263 tors. eta vs tors. theta energy: -17.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -283.927609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.927609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.927609 (E_RNA) where: Base-Base interactions energy: -107.613 where: short stacking energy: -80.176 Base-Backbone interact. energy: 1.121 local terms energy: -177.435718 where: bonds (distance) C4'-P energy: -57.958 bonds (distance) P-C4' energy: -47.407 flat angles C4'-P-C4' energy: -54.655 flat angles P-C4'-P energy: -28.792 tors. eta vs tors. theta energy: 11.376 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: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1157.365880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.365880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.365880 (E_RNA) where: Base-Base interactions energy: -771.560 where: short stacking energy: -375.241 Base-Backbone interact. energy: 3.844 local terms energy: -389.649534 where: bonds (distance) C4'-P energy: -70.438 bonds (distance) P-C4' energy: -62.007 flat angles C4'-P-C4' energy: -86.546 flat angles P-C4'-P energy: -57.917 tors. eta vs tors. theta energy: -112.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1124.502264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.502264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.502264 (E_RNA) where: Base-Base interactions energy: -767.905 where: short stacking energy: -365.622 Base-Backbone interact. energy: -0.206 local terms energy: -356.391002 where: bonds (distance) C4'-P energy: -64.799 bonds (distance) P-C4' energy: -66.819 flat angles C4'-P-C4' energy: -68.042 flat angles P-C4'-P energy: -56.457 tors. eta vs tors. theta energy: -100.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1032.769012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.769012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.769012 (E_RNA) where: Base-Base interactions energy: -696.906 where: short stacking energy: -337.812 Base-Backbone interact. energy: -0.532 local terms energy: -335.331361 where: bonds (distance) C4'-P energy: -57.619 bonds (distance) P-C4' energy: -63.191 flat angles C4'-P-C4' energy: -74.104 flat angles P-C4'-P energy: -46.017 tors. eta vs tors. theta energy: -94.400 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: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -996.265167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.265167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.265167 (E_RNA) where: Base-Base interactions energy: -665.845 where: short stacking energy: -295.964 Base-Backbone interact. energy: -1.080 local terms energy: -329.340111 where: bonds (distance) C4'-P energy: -64.652 bonds (distance) P-C4' energy: -69.844 flat angles C4'-P-C4' energy: -67.418 flat angles P-C4'-P energy: -45.209 tors. eta vs tors. theta energy: -82.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -864.107614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.107614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.107614 (E_RNA) where: Base-Base interactions energy: -552.745 where: short stacking energy: -268.834 Base-Backbone interact. energy: -1.710 local terms energy: -309.652473 where: bonds (distance) C4'-P energy: -67.823 bonds (distance) P-C4' energy: -68.520 flat angles C4'-P-C4' energy: -70.720 flat angles P-C4'-P energy: -34.122 tors. eta vs tors. theta energy: -68.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -799.152252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.152252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.152252 (E_RNA) where: Base-Base interactions energy: -498.723 where: short stacking energy: -244.700 Base-Backbone interact. energy: -0.113 local terms energy: -300.316385 where: bonds (distance) C4'-P energy: -64.621 bonds (distance) P-C4' energy: -64.816 flat angles C4'-P-C4' energy: -60.320 flat angles P-C4'-P energy: -44.608 tors. eta vs tors. theta energy: -65.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -731.399659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.399659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.399659 (E_RNA) where: Base-Base interactions energy: -467.658 where: short stacking energy: -210.716 Base-Backbone interact. energy: 0.059 local terms energy: -263.800294 where: bonds (distance) C4'-P energy: -64.686 bonds (distance) P-C4' energy: -63.915 flat angles C4'-P-C4' energy: -45.002 flat angles P-C4'-P energy: -46.866 tors. eta vs tors. theta energy: -43.332 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: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -575.082617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.082617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.082617 (E_RNA) where: Base-Base interactions energy: -333.995 where: short stacking energy: -183.226 Base-Backbone interact. energy: -1.171 local terms energy: -239.916578 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -57.053 flat angles C4'-P-C4' energy: -53.751 flat angles P-C4'-P energy: -29.860 tors. eta vs tors. theta energy: -42.796 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: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -515.543617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.543617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.543617 (E_RNA) where: Base-Base interactions energy: -284.168 where: short stacking energy: -156.125 Base-Backbone interact. energy: 1.915 local terms energy: -233.291148 where: bonds (distance) C4'-P energy: -47.550 bonds (distance) P-C4' energy: -57.360 flat angles C4'-P-C4' energy: -59.929 flat angles P-C4'-P energy: -42.039 tors. eta vs tors. theta energy: -26.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -323.071985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.071985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.071985 (E_RNA) where: Base-Base interactions energy: -121.488 where: short stacking energy: -92.590 Base-Backbone interact. energy: -0.638 local terms energy: -200.945789 where: bonds (distance) C4'-P energy: -52.897 bonds (distance) P-C4' energy: -60.903 flat angles C4'-P-C4' energy: -53.152 flat angles P-C4'-P energy: -29.729 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1152.351991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.351991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.351991 (E_RNA) where: Base-Base interactions energy: -778.619 where: short stacking energy: -358.884 Base-Backbone interact. energy: -1.275 local terms energy: -372.458042 where: bonds (distance) C4'-P energy: -59.112 bonds (distance) P-C4' energy: -73.017 flat angles C4'-P-C4' energy: -78.010 flat angles P-C4'-P energy: -58.063 tors. eta vs tors. theta energy: -104.256 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: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1150.968809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.968809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.968809 (E_RNA) where: Base-Base interactions energy: -767.031 where: short stacking energy: -349.764 Base-Backbone interact. energy: -1.101 local terms energy: -382.837277 where: bonds (distance) C4'-P energy: -69.202 bonds (distance) P-C4' energy: -70.508 flat angles C4'-P-C4' energy: -77.824 flat angles P-C4'-P energy: -56.774 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: 3, replica: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1031.082195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.082195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.082195 (E_RNA) where: Base-Base interactions energy: -683.030 where: short stacking energy: -317.315 Base-Backbone interact. energy: -1.137 local terms energy: -346.914821 where: bonds (distance) C4'-P energy: -64.454 bonds (distance) P-C4' energy: -67.444 flat angles C4'-P-C4' energy: -78.067 flat angles P-C4'-P energy: -47.008 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: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1012.493123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.493123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.493123 (E_RNA) where: Base-Base interactions energy: -699.258 where: short stacking energy: -317.184 Base-Backbone interact. energy: 4.805 local terms energy: -318.040413 where: bonds (distance) C4'-P energy: -57.523 bonds (distance) P-C4' energy: -67.678 flat angles C4'-P-C4' energy: -65.082 flat angles P-C4'-P energy: -44.102 tors. eta vs tors. theta energy: -83.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -883.585971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.585971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.585971 (E_RNA) where: Base-Base interactions energy: -569.716 where: short stacking energy: -272.236 Base-Backbone interact. energy: -0.431 local terms energy: -313.438645 where: bonds (distance) C4'-P energy: -66.450 bonds (distance) P-C4' energy: -76.010 flat angles C4'-P-C4' energy: -65.744 flat angles P-C4'-P energy: -41.773 tors. eta vs tors. theta energy: -63.462 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: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -782.486798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.486798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.486798 (E_RNA) where: Base-Base interactions energy: -508.300 where: short stacking energy: -243.330 Base-Backbone interact. energy: -0.463 local terms energy: -273.723570 where: bonds (distance) C4'-P energy: -50.304 bonds (distance) P-C4' energy: -59.793 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -46.477 tors. eta vs tors. theta energy: -54.526 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: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -755.507736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.507736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.507736 (E_RNA) where: Base-Base interactions energy: -479.763 where: short stacking energy: -225.610 Base-Backbone interact. energy: -0.632 local terms energy: -275.112418 where: bonds (distance) C4'-P energy: -52.737 bonds (distance) P-C4' energy: -66.691 flat angles C4'-P-C4' energy: -61.477 flat angles P-C4'-P energy: -30.667 tors. eta vs tors. theta energy: -63.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -595.597634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.597634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.597634 (E_RNA) where: Base-Base interactions energy: -358.357 where: short stacking energy: -174.024 Base-Backbone interact. energy: -1.499 local terms energy: -235.741590 where: bonds (distance) C4'-P energy: -49.833 bonds (distance) P-C4' energy: -57.578 flat angles C4'-P-C4' energy: -58.047 flat angles P-C4'-P energy: -41.352 tors. eta vs tors. theta energy: -28.932 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: 9, replica: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -482.553008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.553008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.553008 (E_RNA) where: Base-Base interactions energy: -255.205 where: short stacking energy: -130.952 Base-Backbone interact. energy: -0.878 local terms energy: -226.469825 where: bonds (distance) C4'-P energy: -62.688 bonds (distance) P-C4' energy: -68.043 flat angles C4'-P-C4' energy: -57.088 flat angles P-C4'-P energy: -29.258 tors. eta vs tors. theta energy: -9.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -289.513623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.513623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.513623 (E_RNA) where: Base-Base interactions energy: -111.584 where: short stacking energy: -85.706 Base-Backbone interact. energy: 1.090 local terms energy: -179.019877 where: bonds (distance) C4'-P energy: -55.804 bonds (distance) P-C4' energy: -61.314 flat angles C4'-P-C4' energy: -54.334 flat angles P-C4'-P energy: -24.756 tors. eta vs tors. theta energy: 17.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1177.750004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.750004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.750004 (E_RNA) where: Base-Base interactions energy: -796.952 where: short stacking energy: -363.980 Base-Backbone interact. energy: -0.337 local terms energy: -380.461133 where: bonds (distance) C4'-P energy: -67.043 bonds (distance) P-C4' energy: -76.519 flat angles C4'-P-C4' energy: -76.131 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: -109.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1125.030155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.030155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.030155 (E_RNA) where: Base-Base interactions energy: -754.530 where: short stacking energy: -359.830 Base-Backbone interact. energy: 0.463 local terms energy: -370.962248 where: bonds (distance) C4'-P energy: -60.110 bonds (distance) P-C4' energy: -74.759 flat angles C4'-P-C4' energy: -77.616 flat angles P-C4'-P energy: -56.689 tors. eta vs tors. theta energy: -101.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1028.087117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.087117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.087117 (E_RNA) where: Base-Base interactions energy: -668.275 where: short stacking energy: -315.811 Base-Backbone interact. energy: -2.320 local terms energy: -357.492246 where: bonds (distance) C4'-P energy: -64.623 bonds (distance) P-C4' energy: -77.242 flat angles C4'-P-C4' energy: -70.947 flat angles P-C4'-P energy: -49.172 tors. eta vs tors. theta energy: -95.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1027.908248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.908248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.908248 (E_RNA) where: Base-Base interactions energy: -687.850 where: short stacking energy: -320.957 Base-Backbone interact. energy: -2.022 local terms energy: -338.036360 where: bonds (distance) C4'-P energy: -61.153 bonds (distance) P-C4' energy: -67.235 flat angles C4'-P-C4' energy: -78.793 flat angles P-C4'-P energy: -44.580 tors. eta vs tors. theta energy: -86.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -808.920990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.920990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.920990 (E_RNA) where: Base-Base interactions energy: -510.621 where: short stacking energy: -243.739 Base-Backbone interact. energy: -1.006 local terms energy: -297.293664 where: bonds (distance) C4'-P energy: -69.903 bonds (distance) P-C4' energy: -62.775 flat angles C4'-P-C4' energy: -63.607 flat angles P-C4'-P energy: -37.182 tors. eta vs tors. theta energy: -63.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -806.815914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.815914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.815914 (E_RNA) where: Base-Base interactions energy: -515.227 where: short stacking energy: -239.827 Base-Backbone interact. energy: 2.847 local terms energy: -294.435716 where: bonds (distance) C4'-P energy: -58.292 bonds (distance) P-C4' energy: -70.215 flat angles C4'-P-C4' energy: -62.054 flat angles P-C4'-P energy: -46.042 tors. eta vs tors. theta energy: -57.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -695.737767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.737767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.737767 (E_RNA) where: Base-Base interactions energy: -427.461 where: short stacking energy: -218.927 Base-Backbone interact. energy: -1.479 local terms energy: -266.797740 where: bonds (distance) C4'-P energy: -56.838 bonds (distance) P-C4' energy: -62.682 flat angles C4'-P-C4' energy: -62.340 flat angles P-C4'-P energy: -35.296 tors. eta vs tors. theta energy: -49.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -597.558442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.558442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.558442 (E_RNA) where: Base-Base interactions energy: -347.551 where: short stacking energy: -171.172 Base-Backbone interact. energy: -0.391 local terms energy: -249.615869 where: bonds (distance) C4'-P energy: -59.361 bonds (distance) P-C4' energy: -62.942 flat angles C4'-P-C4' energy: -64.474 flat angles P-C4'-P energy: -36.778 tors. eta vs tors. theta energy: -26.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -480.651708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.651708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.651708 (E_RNA) where: Base-Base interactions energy: -247.761 where: short stacking energy: -124.250 Base-Backbone interact. energy: 0.611 local terms energy: -233.502225 where: bonds (distance) C4'-P energy: -40.058 bonds (distance) P-C4' energy: -73.353 flat angles C4'-P-C4' energy: -59.213 flat angles P-C4'-P energy: -42.219 tors. eta vs tors. theta energy: -18.659 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: 421 Temperature: 1.350000 Total energy: -293.602189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.602189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.602189 (E_RNA) where: Base-Base interactions energy: -115.202 where: short stacking energy: -84.287 Base-Backbone interact. energy: -0.348 local terms energy: -178.051859 where: bonds (distance) C4'-P energy: -46.594 bonds (distance) P-C4' energy: -65.204 flat angles C4'-P-C4' energy: -33.585 flat angles P-C4'-P energy: -37.669 tors. eta vs tors. theta energy: 5.000 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: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1150.655207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.655207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.655207 (E_RNA) where: Base-Base interactions energy: -769.331 where: short stacking energy: -364.576 Base-Backbone interact. energy: -0.539 local terms energy: -380.785392 where: bonds (distance) C4'-P energy: -64.870 bonds (distance) P-C4' energy: -74.080 flat angles C4'-P-C4' energy: -80.102 flat angles P-C4'-P energy: -51.225 tors. eta vs tors. theta energy: -110.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1114.955165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.955165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.955165 (E_RNA) where: Base-Base interactions energy: -736.279 where: short stacking energy: -348.584 Base-Backbone interact. energy: -0.820 local terms energy: -377.856216 where: bonds (distance) C4'-P energy: -67.910 bonds (distance) P-C4' energy: -77.291 flat angles C4'-P-C4' energy: -79.028 flat angles P-C4'-P energy: -50.150 tors. eta vs tors. theta energy: -103.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1036.377974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.377974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.377974 (E_RNA) where: Base-Base interactions energy: -695.416 where: short stacking energy: -326.388 Base-Backbone interact. energy: -0.881 local terms energy: -340.080674 where: bonds (distance) C4'-P energy: -61.680 bonds (distance) P-C4' energy: -70.710 flat angles C4'-P-C4' energy: -72.663 flat angles P-C4'-P energy: -47.325 tors. eta vs tors. theta energy: -87.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1021.764940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.764940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.764940 (E_RNA) where: Base-Base interactions energy: -684.825 where: short stacking energy: -333.805 Base-Backbone interact. energy: -0.875 local terms energy: -336.064742 where: bonds (distance) C4'-P energy: -64.794 bonds (distance) P-C4' energy: -66.112 flat angles C4'-P-C4' energy: -70.913 flat angles P-C4'-P energy: -41.634 tors. eta vs tors. theta energy: -92.612 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: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -822.790758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.790758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.790758 (E_RNA) where: Base-Base interactions energy: -548.108 where: short stacking energy: -253.633 Base-Backbone interact. energy: -0.696 local terms energy: -273.986128 where: bonds (distance) C4'-P energy: -58.392 bonds (distance) P-C4' energy: -58.671 flat angles C4'-P-C4' energy: -67.433 flat angles P-C4'-P energy: -37.873 tors. eta vs tors. theta energy: -51.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -778.796755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.796755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.796755 (E_RNA) where: Base-Base interactions energy: -502.045 where: short stacking energy: -252.809 Base-Backbone interact. energy: 1.459 local terms energy: -278.209874 where: bonds (distance) C4'-P energy: -54.264 bonds (distance) P-C4' energy: -61.867 flat angles C4'-P-C4' energy: -54.175 flat angles P-C4'-P energy: -41.774 tors. eta vs tors. theta energy: -66.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -689.234132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.234132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.234132 (E_RNA) where: Base-Base interactions energy: -426.617 where: short stacking energy: -228.538 Base-Backbone interact. energy: 2.533 local terms energy: -265.150029 where: bonds (distance) C4'-P energy: -54.465 bonds (distance) P-C4' energy: -57.482 flat angles C4'-P-C4' energy: -63.764 flat angles P-C4'-P energy: -36.858 tors. eta vs tors. theta energy: -52.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -606.501957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.501957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.501957 (E_RNA) where: Base-Base interactions energy: -376.803 where: short stacking energy: -175.147 Base-Backbone interact. energy: -1.634 local terms energy: -228.064022 where: bonds (distance) C4'-P energy: -36.758 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -65.957 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -21.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -496.771811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.771811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.771811 (E_RNA) where: Base-Base interactions energy: -251.161 where: short stacking energy: -143.292 Base-Backbone interact. energy: 2.978 local terms energy: -248.588295 where: bonds (distance) C4'-P energy: -65.213 bonds (distance) P-C4' energy: -66.045 flat angles C4'-P-C4' energy: -67.217 flat angles P-C4'-P energy: -33.342 tors. eta vs tors. theta energy: -16.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -339.767278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.767278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.767278 (E_RNA) where: Base-Base interactions energy: -139.463 where: short stacking energy: -111.894 Base-Backbone interact. energy: -1.161 local terms energy: -199.142662 where: bonds (distance) C4'-P energy: -54.457 bonds (distance) P-C4' energy: -69.422 flat angles C4'-P-C4' energy: -47.698 flat angles P-C4'-P energy: -20.694 tors. eta vs tors. theta energy: -6.871 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: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1170.495111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.495111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.495111 (E_RNA) where: Base-Base interactions energy: -778.187 where: short stacking energy: -378.890 Base-Backbone interact. energy: -0.268 local terms energy: -392.039923 where: bonds (distance) C4'-P energy: -77.916 bonds (distance) P-C4' energy: -65.572 flat angles C4'-P-C4' energy: -77.746 flat angles P-C4'-P energy: -56.829 tors. eta vs tors. theta energy: -113.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1102.721006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.721006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.721006 (E_RNA) where: Base-Base interactions energy: -747.398 where: short stacking energy: -350.358 Base-Backbone interact. energy: 4.007 local terms energy: -359.330296 where: bonds (distance) C4'-P energy: -70.629 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -71.075 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: -107.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1038.159714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.159714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.159714 (E_RNA) where: Base-Base interactions energy: -674.431 where: short stacking energy: -294.651 Base-Backbone interact. energy: -2.234 local terms energy: -361.494690 where: bonds (distance) C4'-P energy: -67.407 bonds (distance) P-C4' energy: -66.821 flat angles C4'-P-C4' energy: -78.225 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -93.464 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: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1022.143490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.143490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.143490 (E_RNA) where: Base-Base interactions energy: -681.377 where: short stacking energy: -309.447 Base-Backbone interact. energy: 0.577 local terms energy: -341.343931 where: bonds (distance) C4'-P energy: -55.123 bonds (distance) P-C4' energy: -74.106 flat angles C4'-P-C4' energy: -76.869 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -86.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -869.483730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.483730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.483730 (E_RNA) where: Base-Base interactions energy: -584.556 where: short stacking energy: -275.837 Base-Backbone interact. energy: 0.260 local terms energy: -285.187685 where: bonds (distance) C4'-P energy: -56.585 bonds (distance) P-C4' energy: -55.997 flat angles C4'-P-C4' energy: -60.552 flat angles P-C4'-P energy: -40.403 tors. eta vs tors. theta energy: -71.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -778.124831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.124831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.124831 (E_RNA) where: Base-Base interactions energy: -488.093 where: short stacking energy: -222.967 Base-Backbone interact. energy: -0.366 local terms energy: -289.666426 where: bonds (distance) C4'-P energy: -70.148 bonds (distance) P-C4' energy: -65.677 flat angles C4'-P-C4' energy: -61.570 flat angles P-C4'-P energy: -38.748 tors. eta vs tors. theta energy: -53.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -691.843211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.843211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.843211 (E_RNA) where: Base-Base interactions energy: -419.657 where: short stacking energy: -201.011 Base-Backbone interact. energy: -0.645 local terms energy: -271.541279 where: bonds (distance) C4'-P energy: -60.887 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -58.896 flat angles P-C4'-P energy: -37.179 tors. eta vs tors. theta energy: -47.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -598.898510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.898510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.898510 (E_RNA) where: Base-Base interactions energy: -369.345 where: short stacking energy: -187.144 Base-Backbone interact. energy: 0.105 local terms energy: -229.658701 where: bonds (distance) C4'-P energy: -57.235 bonds (distance) P-C4' energy: -60.429 flat angles C4'-P-C4' energy: -46.788 flat angles P-C4'-P energy: -32.601 tors. eta vs tors. theta energy: -32.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -502.928227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.928227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.928227 (E_RNA) where: Base-Base interactions energy: -281.558 where: short stacking energy: -144.477 Base-Backbone interact. energy: -1.040 local terms energy: -220.330607 where: bonds (distance) C4'-P energy: -43.086 bonds (distance) P-C4' energy: -66.176 flat angles C4'-P-C4' energy: -58.861 flat angles P-C4'-P energy: -24.285 tors. eta vs tors. theta energy: -27.921 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: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -282.016110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.016110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.016110 (E_RNA) where: Base-Base interactions energy: -111.890 where: short stacking energy: -79.822 Base-Backbone interact. energy: 0.946 local terms energy: -171.071467 where: bonds (distance) C4'-P energy: -42.565 bonds (distance) P-C4' energy: -64.151 flat angles C4'-P-C4' energy: -47.741 flat angles P-C4'-P energy: -26.906 tors. eta vs tors. theta energy: 10.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1145.854812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.854812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.854812 (E_RNA) where: Base-Base interactions energy: -758.628 where: short stacking energy: -372.694 Base-Backbone interact. energy: -1.052 local terms energy: -386.175312 where: bonds (distance) C4'-P energy: -76.425 bonds (distance) P-C4' energy: -61.033 flat angles C4'-P-C4' energy: -79.934 flat angles P-C4'-P energy: -56.862 tors. eta vs tors. theta energy: -111.922 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: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1137.783854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.783854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.783854 (E_RNA) where: Base-Base interactions energy: -763.516 where: short stacking energy: -363.318 Base-Backbone interact. energy: 0.463 local terms energy: -374.731652 where: bonds (distance) C4'-P energy: -73.544 bonds (distance) P-C4' energy: -59.286 flat angles C4'-P-C4' energy: -76.464 flat angles P-C4'-P energy: -53.301 tors. eta vs tors. theta energy: -112.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1035.789593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.789593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.789593 (E_RNA) where: Base-Base interactions energy: -710.360 where: short stacking energy: -319.542 Base-Backbone interact. energy: -0.675 local terms energy: -324.754831 where: bonds (distance) C4'-P energy: -66.162 bonds (distance) P-C4' energy: -62.341 flat angles C4'-P-C4' energy: -66.144 flat angles P-C4'-P energy: -47.103 tors. eta vs tors. theta energy: -83.004 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: 424 Temperature: 1.050000 Total energy: -996.638812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.638812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.638812 (E_RNA) where: Base-Base interactions energy: -653.578 where: short stacking energy: -295.283 Base-Backbone interact. energy: -0.263 local terms energy: -342.798050 where: bonds (distance) C4'-P energy: -73.076 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -65.359 flat angles P-C4'-P energy: -53.742 tors. eta vs tors. theta energy: -87.848 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: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -873.048843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.048843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.048843 (E_RNA) where: Base-Base interactions energy: -558.410 where: short stacking energy: -278.442 Base-Backbone interact. energy: -2.309 local terms energy: -312.329673 where: bonds (distance) C4'-P energy: -63.499 bonds (distance) P-C4' energy: -59.517 flat angles C4'-P-C4' energy: -63.345 flat angles P-C4'-P energy: -50.329 tors. eta vs tors. theta energy: -75.639 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: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -769.065505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.065505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.065505 (E_RNA) where: Base-Base interactions energy: -509.225 where: short stacking energy: -247.009 Base-Backbone interact. energy: -1.283 local terms energy: -258.557819 where: bonds (distance) C4'-P energy: -49.431 bonds (distance) P-C4' energy: -57.039 flat angles C4'-P-C4' energy: -57.163 flat angles P-C4'-P energy: -38.056 tors. eta vs tors. theta energy: -56.868 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: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -694.048507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.048507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.048507 (E_RNA) where: Base-Base interactions energy: -422.172 where: short stacking energy: -219.337 Base-Backbone interact. energy: -0.609 local terms energy: -271.267811 where: bonds (distance) C4'-P energy: -47.835 bonds (distance) P-C4' energy: -60.827 flat angles C4'-P-C4' energy: -63.155 flat angles P-C4'-P energy: -38.827 tors. eta vs tors. theta energy: -60.624 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: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -557.579302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.579302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.579302 (E_RNA) where: Base-Base interactions energy: -309.047 where: short stacking energy: -160.755 Base-Backbone interact. energy: 0.047 local terms energy: -248.579703 where: bonds (distance) C4'-P energy: -67.013 bonds (distance) P-C4' energy: -56.341 flat angles C4'-P-C4' energy: -50.231 flat angles P-C4'-P energy: -45.444 tors. eta vs tors. theta energy: -29.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -511.267589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.267589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.267589 (E_RNA) where: Base-Base interactions energy: -281.195 where: short stacking energy: -138.385 Base-Backbone interact. energy: 3.179 local terms energy: -233.251942 where: bonds (distance) C4'-P energy: -58.939 bonds (distance) P-C4' energy: -59.422 flat angles C4'-P-C4' energy: -66.012 flat angles P-C4'-P energy: -34.561 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: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -257.431187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.431187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.431187 (E_RNA) where: Base-Base interactions energy: -75.778 where: short stacking energy: -62.105 Base-Backbone interact. energy: -1.281 local terms energy: -180.372136 where: bonds (distance) C4'-P energy: -62.591 bonds (distance) P-C4' energy: -65.136 flat angles C4'-P-C4' energy: -53.622 flat angles P-C4'-P energy: -25.276 tors. eta vs tors. theta energy: 26.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1159.939281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.939281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.939281 (E_RNA) where: Base-Base interactions energy: -769.604 where: short stacking energy: -376.416 Base-Backbone interact. energy: -0.859 local terms energy: -389.476473 where: bonds (distance) C4'-P energy: -67.091 bonds (distance) P-C4' energy: -67.623 flat angles C4'-P-C4' energy: -84.968 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -119.848 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: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1141.191814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.191814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.191814 (E_RNA) where: Base-Base interactions energy: -757.687 where: short stacking energy: -364.552 Base-Backbone interact. energy: -0.018 local terms energy: -383.487587 where: bonds (distance) C4'-P energy: -74.191 bonds (distance) P-C4' energy: -67.797 flat angles C4'-P-C4' energy: -76.189 flat angles P-C4'-P energy: -54.261 tors. eta vs tors. theta energy: -111.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1061.724975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.724975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.724975 (E_RNA) where: Base-Base interactions energy: -717.797 where: short stacking energy: -320.437 Base-Backbone interact. energy: -1.277 local terms energy: -342.651072 where: bonds (distance) C4'-P energy: -58.129 bonds (distance) P-C4' energy: -69.961 flat angles C4'-P-C4' energy: -71.591 flat angles P-C4'-P energy: -51.935 tors. eta vs tors. theta energy: -91.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -963.772019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.772019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.772019 (E_RNA) where: Base-Base interactions energy: -649.981 where: short stacking energy: -300.809 Base-Backbone interact. energy: 1.444 local terms energy: -315.234953 where: bonds (distance) C4'-P energy: -63.059 bonds (distance) P-C4' energy: -55.901 flat angles C4'-P-C4' energy: -79.414 flat angles P-C4'-P energy: -36.184 tors. eta vs tors. theta energy: -80.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -864.918206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.918206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.918206 (E_RNA) where: Base-Base interactions energy: -551.685 where: short stacking energy: -259.938 Base-Backbone interact. energy: 0.758 local terms energy: -313.991104 where: bonds (distance) C4'-P energy: -57.054 bonds (distance) P-C4' energy: -61.281 flat angles C4'-P-C4' energy: -73.073 flat angles P-C4'-P energy: -46.501 tors. eta vs tors. theta energy: -76.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -759.154497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.154497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.154497 (E_RNA) where: Base-Base interactions energy: -503.340 where: short stacking energy: -227.282 Base-Backbone interact. energy: -0.877 local terms energy: -254.937712 where: bonds (distance) C4'-P energy: -62.308 bonds (distance) P-C4' energy: -59.056 flat angles C4'-P-C4' energy: -62.339 flat angles P-C4'-P energy: -27.577 tors. eta vs tors. theta energy: -43.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -709.741607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.741607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.741607 (E_RNA) where: Base-Base interactions energy: -430.300 where: short stacking energy: -234.974 Base-Backbone interact. energy: -0.895 local terms energy: -278.546159 where: bonds (distance) C4'-P energy: -53.450 bonds (distance) P-C4' energy: -64.935 flat angles C4'-P-C4' energy: -71.767 flat angles P-C4'-P energy: -27.650 tors. eta vs tors. theta energy: -60.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -541.821495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.821495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.821495 (E_RNA) where: Base-Base interactions energy: -319.621 where: short stacking energy: -143.476 Base-Backbone interact. energy: 2.759 local terms energy: -224.959025 where: bonds (distance) C4'-P energy: -58.439 bonds (distance) P-C4' energy: -64.739 flat angles C4'-P-C4' energy: -49.739 flat angles P-C4'-P energy: -31.618 tors. eta vs tors. theta energy: -20.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -487.013293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.013293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.013293 (E_RNA) where: Base-Base interactions energy: -266.802 where: short stacking energy: -146.836 Base-Backbone interact. energy: 0.594 local terms energy: -220.804886 where: bonds (distance) C4'-P energy: -60.576 bonds (distance) P-C4' energy: -63.499 flat angles C4'-P-C4' energy: -51.028 flat angles P-C4'-P energy: -32.940 tors. eta vs tors. theta energy: -12.760 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: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -304.532879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.532879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.532879 (E_RNA) where: Base-Base interactions energy: -116.948 where: short stacking energy: -71.387 Base-Backbone interact. energy: -1.209 local terms energy: -186.375370 where: bonds (distance) C4'-P energy: -63.461 bonds (distance) P-C4' energy: -57.286 flat angles C4'-P-C4' energy: -56.788 flat angles P-C4'-P energy: -24.163 tors. eta vs tors. theta energy: 15.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1146.383489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.383489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.383489 (E_RNA) where: Base-Base interactions energy: -756.221 where: short stacking energy: -370.258 Base-Backbone interact. energy: -0.509 local terms energy: -389.652904 where: bonds (distance) C4'-P energy: -73.556 bonds (distance) P-C4' energy: -68.651 flat angles C4'-P-C4' energy: -77.231 flat angles P-C4'-P energy: -55.410 tors. eta vs tors. theta energy: -114.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1132.612941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.612941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.612941 (E_RNA) where: Base-Base interactions energy: -736.765 where: short stacking energy: -339.453 Base-Backbone interact. energy: 1.483 local terms energy: -397.330082 where: bonds (distance) C4'-P energy: -69.076 bonds (distance) P-C4' energy: -72.349 flat angles C4'-P-C4' energy: -83.371 flat angles P-C4'-P energy: -63.578 tors. eta vs tors. theta energy: -108.957 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: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1040.261671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.261671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.261671 (E_RNA) where: Base-Base interactions energy: -710.607 where: short stacking energy: -311.401 Base-Backbone interact. energy: -2.434 local terms energy: -327.220682 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -65.678 flat angles C4'-P-C4' energy: -76.992 flat angles P-C4'-P energy: -43.147 tors. eta vs tors. theta energy: -86.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -985.381079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.381079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.381079 (E_RNA) where: Base-Base interactions energy: -662.016 where: short stacking energy: -305.558 Base-Backbone interact. energy: -1.855 local terms energy: -321.509711 where: bonds (distance) C4'-P energy: -58.230 bonds (distance) P-C4' energy: -72.679 flat angles C4'-P-C4' energy: -66.970 flat angles P-C4'-P energy: -42.144 tors. eta vs tors. theta energy: -81.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -915.788455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.788455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.788455 (E_RNA) where: Base-Base interactions energy: -621.150 where: short stacking energy: -283.504 Base-Backbone interact. energy: 0.267 local terms energy: -294.905157 where: bonds (distance) C4'-P energy: -52.084 bonds (distance) P-C4' energy: -47.520 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: -73.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -740.079230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.079230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.079230 (E_RNA) where: Base-Base interactions energy: -477.646 where: short stacking energy: -222.467 Base-Backbone interact. energy: 0.399 local terms energy: -262.832426 where: bonds (distance) C4'-P energy: -65.422 bonds (distance) P-C4' energy: -52.471 flat angles C4'-P-C4' energy: -56.395 flat angles P-C4'-P energy: -39.100 tors. eta vs tors. theta energy: -49.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -683.142749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.142749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.142749 (E_RNA) where: Base-Base interactions energy: -418.579 where: short stacking energy: -200.917 Base-Backbone interact. energy: -0.884 local terms energy: -263.679746 where: bonds (distance) C4'-P energy: -47.090 bonds (distance) P-C4' energy: -64.146 flat angles C4'-P-C4' energy: -63.895 flat angles P-C4'-P energy: -38.074 tors. eta vs tors. theta energy: -50.474 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: 5 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -622.161850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.161850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.161850 (E_RNA) where: Base-Base interactions energy: -377.663 where: short stacking energy: -183.463 Base-Backbone interact. energy: -0.479 local terms energy: -244.020048 where: bonds (distance) C4'-P energy: -55.912 bonds (distance) P-C4' energy: -45.996 flat angles C4'-P-C4' energy: -61.719 flat angles P-C4'-P energy: -32.314 tors. eta vs tors. theta energy: -48.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -504.430586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.430586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.430586 (E_RNA) where: Base-Base interactions energy: -264.881 where: short stacking energy: -156.941 Base-Backbone interact. energy: -1.561 local terms energy: -237.988986 where: bonds (distance) C4'-P energy: -47.697 bonds (distance) P-C4' energy: -54.394 flat angles C4'-P-C4' energy: -62.963 flat angles P-C4'-P energy: -32.061 tors. eta vs tors. theta energy: -40.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -289.804873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.804873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.804873 (E_RNA) where: Base-Base interactions energy: -112.925 where: short stacking energy: -83.540 Base-Backbone interact. energy: -1.608 local terms energy: -175.272257 where: bonds (distance) C4'-P energy: -50.177 bonds (distance) P-C4' energy: -55.843 flat angles C4'-P-C4' energy: -41.301 flat angles P-C4'-P energy: -31.336 tors. eta vs tors. theta energy: 3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1149.545352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.545352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.545352 (E_RNA) where: Base-Base interactions energy: -753.945 where: short stacking energy: -359.407 Base-Backbone interact. energy: -1.607 local terms energy: -393.993010 where: bonds (distance) C4'-P energy: -69.826 bonds (distance) P-C4' energy: -82.062 flat angles C4'-P-C4' energy: -80.709 flat angles P-C4'-P energy: -53.753 tors. eta vs tors. theta energy: -107.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1134.078184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.078184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.078184 (E_RNA) where: Base-Base interactions energy: -767.876 where: short stacking energy: -373.572 Base-Backbone interact. energy: 0.888 local terms energy: -367.090195 where: bonds (distance) C4'-P energy: -61.308 bonds (distance) P-C4' energy: -61.573 flat angles C4'-P-C4' energy: -79.556 flat angles P-C4'-P energy: -54.364 tors. eta vs tors. theta energy: -110.289 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: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1041.440657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.440657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.440657 (E_RNA) where: Base-Base interactions energy: -700.535 where: short stacking energy: -331.113 Base-Backbone interact. energy: -0.727 local terms energy: -340.178659 where: bonds (distance) C4'-P energy: -61.202 bonds (distance) P-C4' energy: -68.799 flat angles C4'-P-C4' energy: -79.904 flat angles P-C4'-P energy: -49.170 tors. eta vs tors. theta energy: -81.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -970.578578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.578578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.578578 (E_RNA) where: Base-Base interactions energy: -634.041 where: short stacking energy: -310.497 Base-Backbone interact. energy: -2.155 local terms energy: -334.382696 where: bonds (distance) C4'-P energy: -64.573 bonds (distance) P-C4' energy: -65.809 flat angles C4'-P-C4' energy: -71.097 flat angles P-C4'-P energy: -44.486 tors. eta vs tors. theta energy: -88.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -903.038619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.038619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.038619 (E_RNA) where: Base-Base interactions energy: -610.125 where: short stacking energy: -269.787 Base-Backbone interact. energy: -0.101 local terms energy: -292.811971 where: bonds (distance) C4'-P energy: -57.575 bonds (distance) P-C4' energy: -61.740 flat angles C4'-P-C4' energy: -58.958 flat angles P-C4'-P energy: -39.148 tors. eta vs tors. theta energy: -75.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -735.361917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.361917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.361917 (E_RNA) where: Base-Base interactions energy: -465.691 where: short stacking energy: -219.288 Base-Backbone interact. energy: -1.715 local terms energy: -267.955739 where: bonds (distance) C4'-P energy: -56.312 bonds (distance) P-C4' energy: -52.829 flat angles C4'-P-C4' energy: -74.180 flat angles P-C4'-P energy: -38.197 tors. eta vs tors. theta energy: -46.438 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: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -692.380416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.380416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.380416 (E_RNA) where: Base-Base interactions energy: -416.321 where: short stacking energy: -221.479 Base-Backbone interact. energy: 0.345 local terms energy: -276.404543 where: bonds (distance) C4'-P energy: -61.761 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -53.227 flat angles P-C4'-P energy: -42.643 tors. eta vs tors. theta energy: -57.106 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: 5 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -557.355270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.355270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.355270 (E_RNA) where: Base-Base interactions energy: -329.022 where: short stacking energy: -166.846 Base-Backbone interact. energy: -0.398 local terms energy: -227.935504 where: bonds (distance) C4'-P energy: -48.338 bonds (distance) P-C4' energy: -63.359 flat angles C4'-P-C4' energy: -59.547 flat angles P-C4'-P energy: -35.730 tors. eta vs tors. theta energy: -20.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -452.855819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.855819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.855819 (E_RNA) where: Base-Base interactions energy: -224.092 where: short stacking energy: -142.210 Base-Backbone interact. energy: -0.964 local terms energy: -227.798866 where: bonds (distance) C4'-P energy: -48.752 bonds (distance) P-C4' energy: -59.022 flat angles C4'-P-C4' energy: -65.601 flat angles P-C4'-P energy: -30.182 tors. eta vs tors. theta energy: -24.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -308.484953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.484953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.484953 (E_RNA) where: Base-Base interactions energy: -112.245 where: short stacking energy: -99.026 Base-Backbone interact. energy: 1.707 local terms energy: -197.947475 where: bonds (distance) C4'-P energy: -63.571 bonds (distance) P-C4' energy: -65.986 flat angles C4'-P-C4' energy: -45.277 flat angles P-C4'-P energy: -25.018 tors. eta vs tors. theta energy: 1.905 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: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1152.885162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.885162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.885162 (E_RNA) where: Base-Base interactions energy: -778.178 where: short stacking energy: -372.175 Base-Backbone interact. energy: -1.527 local terms energy: -373.180035 where: bonds (distance) C4'-P energy: -59.800 bonds (distance) P-C4' energy: -71.703 flat angles C4'-P-C4' energy: -74.693 flat angles P-C4'-P energy: -54.160 tors. eta vs tors. theta energy: -112.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1139.312511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.312511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.312511 (E_RNA) where: Base-Base interactions energy: -774.942 where: short stacking energy: -355.740 Base-Backbone interact. energy: -0.938 local terms energy: -363.432674 where: bonds (distance) C4'-P energy: -60.230 bonds (distance) P-C4' energy: -72.732 flat angles C4'-P-C4' energy: -73.956 flat angles P-C4'-P energy: -46.652 tors. eta vs tors. theta energy: -109.862 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: 3, replica: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1030.261484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.261484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.261484 (E_RNA) where: Base-Base interactions energy: -695.451 where: short stacking energy: -305.607 Base-Backbone interact. energy: 0.144 local terms energy: -334.954361 where: bonds (distance) C4'-P energy: -60.760 bonds (distance) P-C4' energy: -68.307 flat angles C4'-P-C4' energy: -73.230 flat angles P-C4'-P energy: -52.575 tors. eta vs tors. theta energy: -80.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -996.340079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.340079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.340079 (E_RNA) where: Base-Base interactions energy: -647.982 where: short stacking energy: -307.874 Base-Backbone interact. energy: -2.058 local terms energy: -346.299900 where: bonds (distance) C4'-P energy: -72.779 bonds (distance) P-C4' energy: -70.111 flat angles C4'-P-C4' energy: -74.324 flat angles P-C4'-P energy: -44.991 tors. eta vs tors. theta energy: -84.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -946.557011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.557011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.557011 (E_RNA) where: Base-Base interactions energy: -613.435 where: short stacking energy: -295.740 Base-Backbone interact. energy: -0.423 local terms energy: -332.699624 where: bonds (distance) C4'-P energy: -56.860 bonds (distance) P-C4' energy: -65.099 flat angles C4'-P-C4' energy: -68.274 flat angles P-C4'-P energy: -55.613 tors. eta vs tors. theta energy: -86.854 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: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -771.878066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.878066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.878066 (E_RNA) where: Base-Base interactions energy: -494.499 where: short stacking energy: -236.131 Base-Backbone interact. energy: 0.547 local terms energy: -277.926330 where: bonds (distance) C4'-P energy: -50.664 bonds (distance) P-C4' energy: -66.975 flat angles C4'-P-C4' energy: -68.863 flat angles P-C4'-P energy: -39.554 tors. eta vs tors. theta energy: -51.870 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: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -767.894362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.894362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.894362 (E_RNA) where: Base-Base interactions energy: -466.830 where: short stacking energy: -219.024 Base-Backbone interact. energy: -1.089 local terms energy: -299.975167 where: bonds (distance) C4'-P energy: -64.000 bonds (distance) P-C4' energy: -53.449 flat angles C4'-P-C4' energy: -65.812 flat angles P-C4'-P energy: -53.047 tors. eta vs tors. theta energy: -63.668 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: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -533.791467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.791467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.791467 (E_RNA) where: Base-Base interactions energy: -294.460 where: short stacking energy: -133.210 Base-Backbone interact. energy: 0.501 local terms energy: -239.832176 where: bonds (distance) C4'-P energy: -60.760 bonds (distance) P-C4' energy: -68.604 flat angles C4'-P-C4' energy: -65.665 flat angles P-C4'-P energy: -33.501 tors. eta vs tors. theta energy: -11.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -432.246892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.246892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.246892 (E_RNA) where: Base-Base interactions energy: -227.221 where: short stacking energy: -123.200 Base-Backbone interact. energy: 2.472 local terms energy: -207.496997 where: bonds (distance) C4'-P energy: -62.227 bonds (distance) P-C4' energy: -62.662 flat angles C4'-P-C4' energy: -59.881 flat angles P-C4'-P energy: -32.838 tors. eta vs tors. theta energy: 10.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -286.251612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.251612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.251612 (E_RNA) where: Base-Base interactions energy: -94.024 where: short stacking energy: -90.471 Base-Backbone interact. energy: -0.520 local terms energy: -191.707904 where: bonds (distance) C4'-P energy: -59.016 bonds (distance) P-C4' energy: -68.503 flat angles C4'-P-C4' energy: -39.947 flat angles P-C4'-P energy: -26.822 tors. eta vs tors. theta energy: 2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1121.351227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.351227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.351227 (E_RNA) where: Base-Base interactions energy: -754.825 where: short stacking energy: -359.465 Base-Backbone interact. energy: 1.376 local terms energy: -367.902235 where: bonds (distance) C4'-P energy: -68.222 bonds (distance) P-C4' energy: -67.237 flat angles C4'-P-C4' energy: -78.145 flat angles P-C4'-P energy: -41.871 tors. eta vs tors. theta energy: -112.427 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: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1138.708617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.708617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.708617 (E_RNA) where: Base-Base interactions energy: -755.823 where: short stacking energy: -365.225 Base-Backbone interact. energy: 0.883 local terms energy: -383.769218 where: bonds (distance) C4'-P energy: -63.400 bonds (distance) P-C4' energy: -72.308 flat angles C4'-P-C4' energy: -78.925 flat angles P-C4'-P energy: -58.322 tors. eta vs tors. theta energy: -110.813 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: 3, replica: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1032.687988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.687988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.687988 (E_RNA) where: Base-Base interactions energy: -702.497 where: short stacking energy: -312.542 Base-Backbone interact. energy: 3.586 local terms energy: -333.777204 where: bonds (distance) C4'-P energy: -70.353 bonds (distance) P-C4' energy: -64.631 flat angles C4'-P-C4' energy: -70.526 flat angles P-C4'-P energy: -52.799 tors. eta vs tors. theta energy: -75.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -974.934449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.934449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.934449 (E_RNA) where: Base-Base interactions energy: -634.298 where: short stacking energy: -278.366 Base-Backbone interact. energy: -3.161 local terms energy: -337.476199 where: bonds (distance) C4'-P energy: -60.028 bonds (distance) P-C4' energy: -79.741 flat angles C4'-P-C4' energy: -68.305 flat angles P-C4'-P energy: -52.059 tors. eta vs tors. theta energy: -77.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -902.843803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.843803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.843803 (E_RNA) where: Base-Base interactions energy: -599.802 where: short stacking energy: -296.143 Base-Backbone interact. energy: -0.147 local terms energy: -302.895465 where: bonds (distance) C4'-P energy: -58.381 bonds (distance) P-C4' energy: -57.632 flat angles C4'-P-C4' energy: -67.160 flat angles P-C4'-P energy: -47.315 tors. eta vs tors. theta energy: -72.408 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: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -804.404037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.404037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.404037 (E_RNA) where: Base-Base interactions energy: -500.316 where: short stacking energy: -265.548 Base-Backbone interact. energy: -2.054 local terms energy: -302.033910 where: bonds (distance) C4'-P energy: -62.390 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -61.977 flat angles P-C4'-P energy: -39.871 tors. eta vs tors. theta energy: -73.546 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: 8 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -781.237180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.237180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.237180 (E_RNA) where: Base-Base interactions energy: -508.733 where: short stacking energy: -251.097 Base-Backbone interact. energy: -0.775 local terms energy: -271.729350 where: bonds (distance) C4'-P energy: -47.302 bonds (distance) P-C4' energy: -61.616 flat angles C4'-P-C4' energy: -65.522 flat angles P-C4'-P energy: -36.227 tors. eta vs tors. theta energy: -61.063 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: 8, replica: 5 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -568.478927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.478927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.478927 (E_RNA) where: Base-Base interactions energy: -348.823 where: short stacking energy: -169.280 Base-Backbone interact. energy: 0.382 local terms energy: -220.038840 where: bonds (distance) C4'-P energy: -52.706 bonds (distance) P-C4' energy: -46.323 flat angles C4'-P-C4' energy: -57.076 flat angles P-C4'-P energy: -30.633 tors. eta vs tors. theta energy: -33.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -462.372060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.372060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.372060 (E_RNA) where: Base-Base interactions energy: -260.371 where: short stacking energy: -143.365 Base-Backbone interact. energy: -0.794 local terms energy: -201.206999 where: bonds (distance) C4'-P energy: -48.324 bonds (distance) P-C4' energy: -50.881 flat angles C4'-P-C4' energy: -50.950 flat angles P-C4'-P energy: -39.438 tors. eta vs tors. theta energy: -11.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -304.906626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.906626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.906626 (E_RNA) where: Base-Base interactions energy: -116.797 where: short stacking energy: -106.055 Base-Backbone interact. energy: 0.435 local terms energy: -188.545026 where: bonds (distance) C4'-P energy: -59.670 bonds (distance) P-C4' energy: -51.144 flat angles C4'-P-C4' energy: -54.326 flat angles P-C4'-P energy: -24.638 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: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1139.718175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.718175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.718175 (E_RNA) where: Base-Base interactions energy: -753.068 where: short stacking energy: -364.857 Base-Backbone interact. energy: -0.480 local terms energy: -386.169569 where: bonds (distance) C4'-P energy: -71.818 bonds (distance) P-C4' energy: -72.052 flat angles C4'-P-C4' energy: -77.053 flat angles P-C4'-P energy: -49.720 tors. eta vs tors. theta energy: -115.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1128.099793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.099793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.099793 (E_RNA) where: Base-Base interactions energy: -755.249 where: short stacking energy: -354.011 Base-Backbone interact. energy: -0.954 local terms energy: -371.896908 where: bonds (distance) C4'-P energy: -68.416 bonds (distance) P-C4' energy: -72.557 flat angles C4'-P-C4' energy: -73.582 flat angles P-C4'-P energy: -50.109 tors. eta vs tors. theta energy: -107.232 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: 430 Temperature: 1.000000 Total energy: -1029.389309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.389309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.389309 (E_RNA) where: Base-Base interactions energy: -680.653 where: short stacking energy: -310.158 Base-Backbone interact. energy: -1.159 local terms energy: -347.576978 where: bonds (distance) C4'-P energy: -65.390 bonds (distance) P-C4' energy: -74.049 flat angles C4'-P-C4' energy: -79.173 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: -82.891 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: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1033.094973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.094973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.094973 (E_RNA) where: Base-Base interactions energy: -708.553 where: short stacking energy: -316.089 Base-Backbone interact. energy: -1.000 local terms energy: -323.541900 where: bonds (distance) C4'-P energy: -56.300 bonds (distance) P-C4' energy: -70.752 flat angles C4'-P-C4' energy: -66.949 flat angles P-C4'-P energy: -43.962 tors. eta vs tors. theta energy: -85.578 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: 3 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -909.955110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.955110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.955110 (E_RNA) where: Base-Base interactions energy: -585.582 where: short stacking energy: -279.231 Base-Backbone interact. energy: -1.987 local terms energy: -322.386274 where: bonds (distance) C4'-P energy: -69.834 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -65.161 flat angles P-C4'-P energy: -37.460 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: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -818.075282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.075282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.075282 (E_RNA) where: Base-Base interactions energy: -516.306 where: short stacking energy: -269.264 Base-Backbone interact. energy: -0.797 local terms energy: -300.972744 where: bonds (distance) C4'-P energy: -54.033 bonds (distance) P-C4' energy: -70.233 flat angles C4'-P-C4' energy: -59.060 flat angles P-C4'-P energy: -48.252 tors. eta vs tors. theta energy: -69.395 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: 8 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -778.609742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.609742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.609742 (E_RNA) where: Base-Base interactions energy: -500.946 where: short stacking energy: -231.575 Base-Backbone interact. energy: -0.142 local terms energy: -277.521858 where: bonds (distance) C4'-P energy: -56.147 bonds (distance) P-C4' energy: -71.202 flat angles C4'-P-C4' energy: -59.183 flat angles P-C4'-P energy: -33.162 tors. eta vs tors. theta energy: -57.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -516.167212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.167212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.167212 (E_RNA) where: Base-Base interactions energy: -295.962 where: short stacking energy: -162.009 Base-Backbone interact. energy: -1.356 local terms energy: -218.849164 where: bonds (distance) C4'-P energy: -47.743 bonds (distance) P-C4' energy: -57.885 flat angles C4'-P-C4' energy: -56.268 flat angles P-C4'-P energy: -24.183 tors. eta vs tors. theta energy: -32.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -413.580477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.580477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.580477 (E_RNA) where: Base-Base interactions energy: -206.387 where: short stacking energy: -108.324 Base-Backbone interact. energy: 1.337 local terms energy: -208.531011 where: bonds (distance) C4'-P energy: -55.199 bonds (distance) P-C4' energy: -60.925 flat angles C4'-P-C4' energy: -59.300 flat angles P-C4'-P energy: -36.373 tors. eta vs tors. theta energy: 3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -269.084186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.084186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.084186 (E_RNA) where: Base-Base interactions energy: -93.070 where: short stacking energy: -87.513 Base-Backbone interact. energy: -1.246 local terms energy: -174.768255 where: bonds (distance) C4'-P energy: -49.452 bonds (distance) P-C4' energy: -64.221 flat angles C4'-P-C4' energy: -43.664 flat angles P-C4'-P energy: -28.199 tors. eta vs tors. theta energy: 10.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1142.231576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.231576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.231576 (E_RNA) where: Base-Base interactions energy: -746.729 where: short stacking energy: -355.222 Base-Backbone interact. energy: -1.313 local terms energy: -394.190070 where: bonds (distance) C4'-P energy: -65.030 bonds (distance) P-C4' energy: -74.129 flat angles C4'-P-C4' energy: -78.771 flat angles P-C4'-P energy: -63.571 tors. eta vs tors. theta energy: -112.690 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: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1137.094320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.094320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.094320 (E_RNA) where: Base-Base interactions energy: -776.651 where: short stacking energy: -376.571 Base-Backbone interact. energy: -1.192 local terms energy: -359.251456 where: bonds (distance) C4'-P energy: -63.537 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -71.299 flat angles P-C4'-P energy: -48.846 tors. eta vs tors. theta energy: -110.192 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: 431 Temperature: 1.000000 Total energy: -1022.384525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.384525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.384525 (E_RNA) where: Base-Base interactions energy: -669.705 where: short stacking energy: -315.225 Base-Backbone interact. energy: 0.475 local terms energy: -353.154317 where: bonds (distance) C4'-P energy: -70.336 bonds (distance) P-C4' energy: -60.128 flat angles C4'-P-C4' energy: -80.599 flat angles P-C4'-P energy: -53.321 tors. eta vs tors. theta energy: -88.769 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: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1002.676103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.676103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.676103 (E_RNA) where: Base-Base interactions energy: -693.842 where: short stacking energy: -322.983 Base-Backbone interact. energy: 0.053 local terms energy: -308.887145 where: bonds (distance) C4'-P energy: -51.824 bonds (distance) P-C4' energy: -60.500 flat angles C4'-P-C4' energy: -65.610 flat angles P-C4'-P energy: -49.471 tors. eta vs tors. theta energy: -81.482 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: 3 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -894.663431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.663431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.663431 (E_RNA) where: Base-Base interactions energy: -580.506 where: short stacking energy: -271.862 Base-Backbone interact. energy: 0.703 local terms energy: -314.860171 where: bonds (distance) C4'-P energy: -62.328 bonds (distance) P-C4' energy: -66.792 flat angles C4'-P-C4' energy: -61.124 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -76.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -802.469911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.469911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.469911 (E_RNA) where: Base-Base interactions energy: -525.163 where: short stacking energy: -252.309 Base-Backbone interact. energy: -0.548 local terms energy: -276.758915 where: bonds (distance) C4'-P energy: -60.323 bonds (distance) P-C4' energy: -57.335 flat angles C4'-P-C4' energy: -55.848 flat angles P-C4'-P energy: -47.866 tors. eta vs tors. theta energy: -55.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -778.380434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.380434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.380434 (E_RNA) where: Base-Base interactions energy: -485.906 where: short stacking energy: -264.594 Base-Backbone interact. energy: 1.112 local terms energy: -293.587190 where: bonds (distance) C4'-P energy: -54.950 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -68.027 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -65.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -541.494534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.494534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.494534 (E_RNA) where: Base-Base interactions energy: -286.339 where: short stacking energy: -163.535 Base-Backbone interact. energy: -0.499 local terms energy: -254.656122 where: bonds (distance) C4'-P energy: -58.994 bonds (distance) P-C4' energy: -59.396 flat angles C4'-P-C4' energy: -62.284 flat angles P-C4'-P energy: -38.304 tors. eta vs tors. theta energy: -35.679 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: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -418.364960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.364960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.364960 (E_RNA) where: Base-Base interactions energy: -200.469 where: short stacking energy: -94.801 Base-Backbone interact. energy: -1.407 local terms energy: -216.489162 where: bonds (distance) C4'-P energy: -67.270 bonds (distance) P-C4' energy: -64.673 flat angles C4'-P-C4' energy: -46.859 flat angles P-C4'-P energy: -45.050 tors. eta vs tors. theta energy: 7.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -312.623233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.623233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.623233 (E_RNA) where: Base-Base interactions energy: -134.222 where: short stacking energy: -93.101 Base-Backbone interact. energy: 8.903 local terms energy: -187.304048 where: bonds (distance) C4'-P energy: -52.113 bonds (distance) P-C4' energy: -59.191 flat angles C4'-P-C4' energy: -46.508 flat angles P-C4'-P energy: -25.268 tors. eta vs tors. theta energy: -4.224 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: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1129.560786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.560786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.560786 (E_RNA) where: Base-Base interactions energy: -754.604 where: short stacking energy: -352.562 Base-Backbone interact. energy: 3.415 local terms energy: -378.371925 where: bonds (distance) C4'-P energy: -72.741 bonds (distance) P-C4' energy: -68.637 flat angles C4'-P-C4' energy: -72.736 flat angles P-C4'-P energy: -57.981 tors. eta vs tors. theta energy: -106.277 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: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1146.408044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.408044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.408044 (E_RNA) where: Base-Base interactions energy: -783.959 where: short stacking energy: -374.108 Base-Backbone interact. energy: -0.552 local terms energy: -361.896976 where: bonds (distance) C4'-P energy: -54.271 bonds (distance) P-C4' energy: -64.211 flat angles C4'-P-C4' energy: -78.295 flat angles P-C4'-P energy: -54.895 tors. eta vs tors. theta energy: -110.225 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: 432 Temperature: 1.000000 Total energy: -1008.962041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.962041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.962041 (E_RNA) where: Base-Base interactions energy: -651.730 where: short stacking energy: -317.446 Base-Backbone interact. energy: -0.852 local terms energy: -356.379377 where: bonds (distance) C4'-P energy: -58.045 bonds (distance) P-C4' energy: -78.808 flat angles C4'-P-C4' energy: -77.783 flat angles P-C4'-P energy: -52.959 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: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -982.853632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.853632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.853632 (E_RNA) where: Base-Base interactions energy: -668.469 where: short stacking energy: -303.538 Base-Backbone interact. energy: -0.200 local terms energy: -314.185071 where: bonds (distance) C4'-P energy: -57.850 bonds (distance) P-C4' energy: -61.482 flat angles C4'-P-C4' energy: -73.447 flat angles P-C4'-P energy: -38.438 tors. eta vs tors. theta energy: -82.969 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: 3 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -923.694503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.694503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.694503 (E_RNA) where: Base-Base interactions energy: -594.376 where: short stacking energy: -261.007 Base-Backbone interact. energy: -0.803 local terms energy: -328.516139 where: bonds (distance) C4'-P energy: -71.153 bonds (distance) P-C4' energy: -65.251 flat angles C4'-P-C4' energy: -64.370 flat angles P-C4'-P energy: -52.399 tors. eta vs tors. theta energy: -75.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -818.406191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.406191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.406191 (E_RNA) where: Base-Base interactions energy: -518.190 where: short stacking energy: -258.834 Base-Backbone interact. energy: -0.173 local terms energy: -300.043310 where: bonds (distance) C4'-P energy: -58.879 bonds (distance) P-C4' energy: -61.141 flat angles C4'-P-C4' energy: -64.443 flat angles P-C4'-P energy: -43.316 tors. eta vs tors. theta energy: -72.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -730.693310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.693310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.693310 (E_RNA) where: Base-Base interactions energy: -463.405 where: short stacking energy: -222.686 Base-Backbone interact. energy: 3.198 local terms energy: -270.485834 where: bonds (distance) C4'-P energy: -64.776 bonds (distance) P-C4' energy: -63.697 flat angles C4'-P-C4' energy: -61.706 flat angles P-C4'-P energy: -36.858 tors. eta vs tors. theta energy: -43.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -513.345858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.345858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.345858 (E_RNA) where: Base-Base interactions energy: -282.336 where: short stacking energy: -153.728 Base-Backbone interact. energy: -0.134 local terms energy: -230.875149 where: bonds (distance) C4'-P energy: -56.338 bonds (distance) P-C4' energy: -60.365 flat angles C4'-P-C4' energy: -56.414 flat angles P-C4'-P energy: -37.440 tors. eta vs tors. theta energy: -20.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -451.518950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.518950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.518950 (E_RNA) where: Base-Base interactions energy: -264.825 where: short stacking energy: -140.297 Base-Backbone interact. energy: 6.117 local terms energy: -192.810695 where: bonds (distance) C4'-P energy: -49.862 bonds (distance) P-C4' energy: -66.715 flat angles C4'-P-C4' energy: -54.203 flat angles P-C4'-P energy: -15.690 tors. eta vs tors. theta energy: -6.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -379.085207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.085207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.085207 (E_RNA) where: Base-Base interactions energy: -179.863 where: short stacking energy: -110.155 Base-Backbone interact. energy: -0.938 local terms energy: -198.283455 where: bonds (distance) C4'-P energy: -53.133 bonds (distance) P-C4' energy: -53.070 flat angles C4'-P-C4' energy: -55.251 flat angles P-C4'-P energy: -33.694 tors. eta vs tors. theta energy: -3.136 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: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1144.313728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.313728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.313728 (E_RNA) where: Base-Base interactions energy: -765.333 where: short stacking energy: -362.248 Base-Backbone interact. energy: 0.914 local terms energy: -379.894737 where: bonds (distance) C4'-P energy: -63.397 bonds (distance) P-C4' energy: -73.945 flat angles C4'-P-C4' energy: -79.963 flat angles P-C4'-P energy: -50.458 tors. eta vs tors. theta energy: -112.132 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: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1150.617793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.617793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.617793 (E_RNA) where: Base-Base interactions energy: -756.483 where: short stacking energy: -375.883 Base-Backbone interact. energy: -0.169 local terms energy: -393.966390 where: bonds (distance) C4'-P energy: -72.899 bonds (distance) P-C4' energy: -75.079 flat angles C4'-P-C4' energy: -78.106 flat angles P-C4'-P energy: -50.712 tors. eta vs tors. theta energy: -117.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1024.298427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.298427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.298427 (E_RNA) where: Base-Base interactions energy: -676.073 where: short stacking energy: -315.659 Base-Backbone interact. energy: -1.224 local terms energy: -347.000923 where: bonds (distance) C4'-P energy: -65.726 bonds (distance) P-C4' energy: -67.892 flat angles C4'-P-C4' energy: -72.414 flat angles P-C4'-P energy: -53.444 tors. eta vs tors. theta energy: -87.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1000.028632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.028632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.028632 (E_RNA) where: Base-Base interactions energy: -680.933 where: short stacking energy: -311.229 Base-Backbone interact. energy: 5.296 local terms energy: -324.391751 where: bonds (distance) C4'-P energy: -72.262 bonds (distance) P-C4' energy: -51.144 flat angles C4'-P-C4' energy: -72.152 flat angles P-C4'-P energy: -49.963 tors. eta vs tors. theta energy: -78.871 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: 5, replica: 3 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -920.556223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.556223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.556223 (E_RNA) where: Base-Base interactions energy: -621.391 where: short stacking energy: -276.556 Base-Backbone interact. energy: -1.165 local terms energy: -298.000211 where: bonds (distance) C4'-P energy: -59.857 bonds (distance) P-C4' energy: -56.152 flat angles C4'-P-C4' energy: -66.939 flat angles P-C4'-P energy: -39.512 tors. eta vs tors. theta energy: -75.540 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: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -837.630161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.630161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.630161 (E_RNA) where: Base-Base interactions energy: -535.582 where: short stacking energy: -263.569 Base-Backbone interact. energy: -1.877 local terms energy: -300.170584 where: bonds (distance) C4'-P energy: -54.858 bonds (distance) P-C4' energy: -62.520 flat angles C4'-P-C4' energy: -62.969 flat angles P-C4'-P energy: -47.012 tors. eta vs tors. theta energy: -72.811 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: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -761.518120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.518120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.518120 (E_RNA) where: Base-Base interactions energy: -479.539 where: short stacking energy: -222.516 Base-Backbone interact. energy: 0.784 local terms energy: -282.762318 where: bonds (distance) C4'-P energy: -58.713 bonds (distance) P-C4' energy: -64.272 flat angles C4'-P-C4' energy: -63.670 flat angles P-C4'-P energy: -41.377 tors. eta vs tors. theta energy: -54.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -512.550905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.550905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.550905 (E_RNA) where: Base-Base interactions energy: -264.048 where: short stacking energy: -133.555 Base-Backbone interact. energy: -1.053 local terms energy: -247.449779 where: bonds (distance) C4'-P energy: -60.258 bonds (distance) P-C4' energy: -68.708 flat angles C4'-P-C4' energy: -53.961 flat angles P-C4'-P energy: -47.858 tors. eta vs tors. theta energy: -16.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -465.313695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.313695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.313695 (E_RNA) where: Base-Base interactions energy: -236.248 where: short stacking energy: -131.140 Base-Backbone interact. energy: 2.247 local terms energy: -231.313385 where: bonds (distance) C4'-P energy: -51.405 bonds (distance) P-C4' energy: -58.617 flat angles C4'-P-C4' energy: -57.527 flat angles P-C4'-P energy: -40.486 tors. eta vs tors. theta energy: -23.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -291.913515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.913515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.913515 (E_RNA) where: Base-Base interactions energy: -98.024 where: short stacking energy: -96.179 Base-Backbone interact. energy: -2.457 local terms energy: -191.432005 where: bonds (distance) C4'-P energy: -52.841 bonds (distance) P-C4' energy: -50.407 flat angles C4'-P-C4' energy: -53.902 flat angles P-C4'-P energy: -31.607 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: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1165.653925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.653925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.653925 (E_RNA) where: Base-Base interactions energy: -789.458 where: short stacking energy: -364.377 Base-Backbone interact. energy: 0.066 local terms energy: -376.261893 where: bonds (distance) C4'-P energy: -74.212 bonds (distance) P-C4' energy: -68.055 flat angles C4'-P-C4' energy: -77.529 flat angles P-C4'-P energy: -47.535 tors. eta vs tors. theta energy: -108.930 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: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1127.959696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.959696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.959696 (E_RNA) where: Base-Base interactions energy: -759.988 where: short stacking energy: -370.029 Base-Backbone interact. energy: -2.505 local terms energy: -365.466600 where: bonds (distance) C4'-P energy: -61.988 bonds (distance) P-C4' energy: -68.989 flat angles C4'-P-C4' energy: -76.051 flat angles P-C4'-P energy: -54.209 tors. eta vs tors. theta energy: -104.229 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: 434 Temperature: 1.000000 Total energy: -1035.161376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.161376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.161376 (E_RNA) where: Base-Base interactions energy: -682.759 where: short stacking energy: -324.737 Base-Backbone interact. energy: 0.043 local terms energy: -352.444695 where: bonds (distance) C4'-P energy: -68.091 bonds (distance) P-C4' energy: -64.382 flat angles C4'-P-C4' energy: -76.237 flat angles P-C4'-P energy: -53.286 tors. eta vs tors. theta energy: -90.448 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: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -989.835667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.835667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.835667 (E_RNA) where: Base-Base interactions energy: -654.282 where: short stacking energy: -306.246 Base-Backbone interact. energy: 1.308 local terms energy: -336.861790 where: bonds (distance) C4'-P energy: -65.048 bonds (distance) P-C4' energy: -66.319 flat angles C4'-P-C4' energy: -79.729 flat angles P-C4'-P energy: -39.126 tors. eta vs tors. theta energy: -86.640 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: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -886.039795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.039795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.039795 (E_RNA) where: Base-Base interactions energy: -579.705 where: short stacking energy: -275.238 Base-Backbone interact. energy: -1.582 local terms energy: -304.752110 where: bonds (distance) C4'-P energy: -61.253 bonds (distance) P-C4' energy: -70.815 flat angles C4'-P-C4' energy: -67.208 flat angles P-C4'-P energy: -30.460 tors. eta vs tors. theta energy: -75.016 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: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -881.818453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.818453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.818453 (E_RNA) where: Base-Base interactions energy: -610.383 where: short stacking energy: -284.483 Base-Backbone interact. energy: 0.659 local terms energy: -272.094226 where: bonds (distance) C4'-P energy: -55.529 bonds (distance) P-C4' energy: -57.264 flat angles C4'-P-C4' energy: -60.286 flat angles P-C4'-P energy: -28.365 tors. eta vs tors. theta energy: -70.651 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: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -786.193409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.193409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.193409 (E_RNA) where: Base-Base interactions energy: -505.305 where: short stacking energy: -249.164 Base-Backbone interact. energy: 0.281 local terms energy: -281.169324 where: bonds (distance) C4'-P energy: -65.787 bonds (distance) P-C4' energy: -64.176 flat angles C4'-P-C4' energy: -65.598 flat angles P-C4'-P energy: -29.714 tors. eta vs tors. theta energy: -55.895 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: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -482.823406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.823406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.823406 (E_RNA) where: Base-Base interactions energy: -282.984 where: short stacking energy: -145.846 Base-Backbone interact. energy: -2.479 local terms energy: -197.360383 where: bonds (distance) C4'-P energy: -48.816 bonds (distance) P-C4' energy: -58.586 flat angles C4'-P-C4' energy: -44.661 flat angles P-C4'-P energy: -28.022 tors. eta vs tors. theta energy: -17.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -443.005578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.005578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.005578 (E_RNA) where: Base-Base interactions energy: -234.520 where: short stacking energy: -119.372 Base-Backbone interact. energy: -0.836 local terms energy: -207.650317 where: bonds (distance) C4'-P energy: -58.406 bonds (distance) P-C4' energy: -58.470 flat angles C4'-P-C4' energy: -45.737 flat angles P-C4'-P energy: -36.999 tors. eta vs tors. theta energy: -8.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -294.144084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.144084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.144084 (E_RNA) where: Base-Base interactions energy: -110.694 where: short stacking energy: -95.952 Base-Backbone interact. energy: -1.387 local terms energy: -182.063018 where: bonds (distance) C4'-P energy: -70.647 bonds (distance) P-C4' energy: -50.852 flat angles C4'-P-C4' energy: -44.241 flat angles P-C4'-P energy: -18.217 tors. eta vs tors. theta energy: 1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1175.884477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.884477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.884477 (E_RNA) where: Base-Base interactions energy: -795.264 where: short stacking energy: -385.659 Base-Backbone interact. energy: -0.804 local terms energy: -379.816506 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -69.368 flat angles C4'-P-C4' energy: -80.604 flat angles P-C4'-P energy: -53.761 tors. eta vs tors. theta energy: -115.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1120.373086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.373086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.373086 (E_RNA) where: Base-Base interactions energy: -765.295 where: short stacking energy: -367.162 Base-Backbone interact. energy: 0.084 local terms energy: -355.162618 where: bonds (distance) C4'-P energy: -59.224 bonds (distance) P-C4' energy: -60.134 flat angles C4'-P-C4' energy: -80.014 flat angles P-C4'-P energy: -51.951 tors. eta vs tors. theta energy: -103.839 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: 435 Temperature: 1.000000 Total energy: -1029.956692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.956692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.956692 (E_RNA) where: Base-Base interactions energy: -675.084 where: short stacking energy: -296.192 Base-Backbone interact. energy: -1.759 local terms energy: -353.113776 where: bonds (distance) C4'-P energy: -67.317 bonds (distance) P-C4' energy: -72.829 flat angles C4'-P-C4' energy: -73.328 flat angles P-C4'-P energy: -54.387 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: 4, replica: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1028.018502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.018502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.018502 (E_RNA) where: Base-Base interactions energy: -682.677 where: short stacking energy: -306.841 Base-Backbone interact. energy: -1.253 local terms energy: -344.089239 where: bonds (distance) C4'-P energy: -57.893 bonds (distance) P-C4' energy: -74.919 flat angles C4'-P-C4' energy: -69.900 flat angles P-C4'-P energy: -47.891 tors. eta vs tors. theta energy: -93.486 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: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -880.470261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.470261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.470261 (E_RNA) where: Base-Base interactions energy: -555.356 where: short stacking energy: -258.361 Base-Backbone interact. energy: -1.448 local terms energy: -323.666355 where: bonds (distance) C4'-P energy: -59.156 bonds (distance) P-C4' energy: -78.139 flat angles C4'-P-C4' energy: -55.236 flat angles P-C4'-P energy: -53.483 tors. eta vs tors. theta energy: -77.653 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: 3 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -896.272415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.272415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.272415 (E_RNA) where: Base-Base interactions energy: -599.264 where: short stacking energy: -268.155 Base-Backbone interact. energy: -0.448 local terms energy: -296.559922 where: bonds (distance) C4'-P energy: -53.535 bonds (distance) P-C4' energy: -57.979 flat angles C4'-P-C4' energy: -66.315 flat angles P-C4'-P energy: -46.059 tors. eta vs tors. theta energy: -72.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -795.495731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.495731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.495731 (E_RNA) where: Base-Base interactions energy: -506.324 where: short stacking energy: -232.808 Base-Backbone interact. energy: 0.338 local terms energy: -289.509844 where: bonds (distance) C4'-P energy: -57.720 bonds (distance) P-C4' energy: -57.926 flat angles C4'-P-C4' energy: -62.658 flat angles P-C4'-P energy: -43.833 tors. eta vs tors. theta energy: -67.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -547.040182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.040182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.040182 (E_RNA) where: Base-Base interactions energy: -299.182 where: short stacking energy: -156.815 Base-Backbone interact. energy: 1.083 local terms energy: -248.941335 where: bonds (distance) C4'-P energy: -59.764 bonds (distance) P-C4' energy: -62.414 flat angles C4'-P-C4' energy: -69.219 flat angles P-C4'-P energy: -44.985 tors. eta vs tors. theta energy: -12.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -455.833369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.833369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.833369 (E_RNA) where: Base-Base interactions energy: -220.827 where: short stacking energy: -128.647 Base-Backbone interact. energy: -0.110 local terms energy: -234.896299 where: bonds (distance) C4'-P energy: -58.592 bonds (distance) P-C4' energy: -56.903 flat angles C4'-P-C4' energy: -62.880 flat angles P-C4'-P energy: -39.628 tors. eta vs tors. theta energy: -16.893 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: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -289.929158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.929158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.929158 (E_RNA) where: Base-Base interactions energy: -97.883 where: short stacking energy: -85.876 Base-Backbone interact. energy: 1.575 local terms energy: -193.620791 where: bonds (distance) C4'-P energy: -65.039 bonds (distance) P-C4' energy: -47.130 flat angles C4'-P-C4' energy: -40.902 flat angles P-C4'-P energy: -35.164 tors. eta vs tors. theta energy: -5.385 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: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1178.327722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.327722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.327722 (E_RNA) where: Base-Base interactions energy: -781.482 where: short stacking energy: -377.183 Base-Backbone interact. energy: 1.319 local terms energy: -398.164831 where: bonds (distance) C4'-P energy: -66.469 bonds (distance) P-C4' energy: -67.692 flat angles C4'-P-C4' energy: -83.629 flat angles P-C4'-P energy: -62.583 tors. eta vs tors. theta energy: -117.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1118.429676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.429676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.429676 (E_RNA) where: Base-Base interactions energy: -748.640 where: short stacking energy: -352.615 Base-Backbone interact. energy: -1.770 local terms energy: -368.019435 where: bonds (distance) C4'-P energy: -69.803 bonds (distance) P-C4' energy: -68.695 flat angles C4'-P-C4' energy: -74.141 flat angles P-C4'-P energy: -52.886 tors. eta vs tors. theta energy: -102.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1059.410196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.410196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.410196 (E_RNA) where: Base-Base interactions energy: -723.839 where: short stacking energy: -325.945 Base-Backbone interact. energy: -0.938 local terms energy: -334.633001 where: bonds (distance) C4'-P energy: -61.328 bonds (distance) P-C4' energy: -61.521 flat angles C4'-P-C4' energy: -67.441 flat angles P-C4'-P energy: -49.595 tors. eta vs tors. theta energy: -94.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1013.704746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.704746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.704746 (E_RNA) where: Base-Base interactions energy: -686.111 where: short stacking energy: -308.384 Base-Backbone interact. energy: -0.662 local terms energy: -326.931616 where: bonds (distance) C4'-P energy: -63.149 bonds (distance) P-C4' energy: -73.791 flat angles C4'-P-C4' energy: -64.631 flat angles P-C4'-P energy: -44.889 tors. eta vs tors. theta energy: -80.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -906.520571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.520571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.520571 (E_RNA) where: Base-Base interactions energy: -592.665 where: short stacking energy: -275.251 Base-Backbone interact. energy: -0.631 local terms energy: -313.224185 where: bonds (distance) C4'-P energy: -55.413 bonds (distance) P-C4' energy: -68.584 flat angles C4'-P-C4' energy: -74.305 flat angles P-C4'-P energy: -40.420 tors. eta vs tors. theta energy: -74.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -850.106989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.106989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.106989 (E_RNA) where: Base-Base interactions energy: -562.192 where: short stacking energy: -276.140 Base-Backbone interact. energy: -0.316 local terms energy: -287.598795 where: bonds (distance) C4'-P energy: -51.144 bonds (distance) P-C4' energy: -53.664 flat angles C4'-P-C4' energy: -60.171 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -73.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -768.711333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.711333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.711333 (E_RNA) where: Base-Base interactions energy: -483.761 where: short stacking energy: -234.995 Base-Backbone interact. energy: 0.291 local terms energy: -285.241118 where: bonds (distance) C4'-P energy: -51.492 bonds (distance) P-C4' energy: -68.326 flat angles C4'-P-C4' energy: -62.070 flat angles P-C4'-P energy: -42.125 tors. eta vs tors. theta energy: -61.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -587.652467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.652467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.652467 (E_RNA) where: Base-Base interactions energy: -344.515 where: short stacking energy: -168.102 Base-Backbone interact. energy: 0.429 local terms energy: -243.566241 where: bonds (distance) C4'-P energy: -52.042 bonds (distance) P-C4' energy: -59.743 flat angles C4'-P-C4' energy: -67.275 flat angles P-C4'-P energy: -37.537 tors. eta vs tors. theta energy: -26.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -489.354479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.354479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.354479 (E_RNA) where: Base-Base interactions energy: -280.684 where: short stacking energy: -141.570 Base-Backbone interact. energy: -1.357 local terms energy: -207.314089 where: bonds (distance) C4'-P energy: -53.140 bonds (distance) P-C4' energy: -65.454 flat angles C4'-P-C4' energy: -50.313 flat angles P-C4'-P energy: -28.269 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: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -282.704237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.704237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.704237 (E_RNA) where: Base-Base interactions energy: -81.181 where: short stacking energy: -70.390 Base-Backbone interact. energy: -0.669 local terms energy: -200.854938 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -74.041 flat angles C4'-P-C4' energy: -50.465 flat angles P-C4'-P energy: -28.598 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: 1, replica: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1156.300127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.300127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.300127 (E_RNA) where: Base-Base interactions energy: -770.735 where: short stacking energy: -375.394 Base-Backbone interact. energy: 1.031 local terms energy: -386.595565 where: bonds (distance) C4'-P energy: -74.673 bonds (distance) P-C4' energy: -68.326 flat angles C4'-P-C4' energy: -77.430 flat angles P-C4'-P energy: -55.268 tors. eta vs tors. theta energy: -110.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1110.774358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.774358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.774358 (E_RNA) where: Base-Base interactions energy: -743.189 where: short stacking energy: -360.327 Base-Backbone interact. energy: -1.264 local terms energy: -366.321246 where: bonds (distance) C4'-P energy: -65.020 bonds (distance) P-C4' energy: -66.476 flat angles C4'-P-C4' energy: -76.543 flat angles P-C4'-P energy: -50.199 tors. eta vs tors. theta energy: -108.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1044.033862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.033862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.033862 (E_RNA) where: Base-Base interactions energy: -714.574 where: short stacking energy: -333.071 Base-Backbone interact. energy: 0.636 local terms energy: -330.096204 where: bonds (distance) C4'-P energy: -58.271 bonds (distance) P-C4' energy: -64.120 flat angles C4'-P-C4' energy: -70.652 flat angles P-C4'-P energy: -42.683 tors. eta vs tors. theta energy: -94.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -997.966686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.966686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.966686 (E_RNA) where: Base-Base interactions energy: -689.881 where: short stacking energy: -314.221 Base-Backbone interact. energy: 0.553 local terms energy: -308.638549 where: bonds (distance) C4'-P energy: -52.163 bonds (distance) P-C4' energy: -57.221 flat angles C4'-P-C4' energy: -72.507 flat angles P-C4'-P energy: -44.739 tors. eta vs tors. theta energy: -82.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -919.551642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.551642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.551642 (E_RNA) where: Base-Base interactions energy: -603.296 where: short stacking energy: -281.818 Base-Backbone interact. energy: -0.299 local terms energy: -315.956555 where: bonds (distance) C4'-P energy: -62.627 bonds (distance) P-C4' energy: -64.163 flat angles C4'-P-C4' energy: -74.134 flat angles P-C4'-P energy: -35.015 tors. eta vs tors. theta energy: -80.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -850.772265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.772265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.772265 (E_RNA) where: Base-Base interactions energy: -550.367 where: short stacking energy: -261.796 Base-Backbone interact. energy: -1.249 local terms energy: -299.155720 where: bonds (distance) C4'-P energy: -52.502 bonds (distance) P-C4' energy: -67.816 flat angles C4'-P-C4' energy: -57.794 flat angles P-C4'-P energy: -41.439 tors. eta vs tors. theta energy: -79.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -781.154464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.154464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.154464 (E_RNA) where: Base-Base interactions energy: -503.383 where: short stacking energy: -233.420 Base-Backbone interact. energy: -1.027 local terms energy: -276.744807 where: bonds (distance) C4'-P energy: -48.859 bonds (distance) P-C4' energy: -65.809 flat angles C4'-P-C4' energy: -72.311 flat angles P-C4'-P energy: -32.649 tors. eta vs tors. theta energy: -57.116 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: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -555.655739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.655739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.655739 (E_RNA) where: Base-Base interactions energy: -320.521 where: short stacking energy: -173.878 Base-Backbone interact. energy: -1.630 local terms energy: -233.505568 where: bonds (distance) C4'-P energy: -56.928 bonds (distance) P-C4' energy: -62.549 flat angles C4'-P-C4' energy: -49.882 flat angles P-C4'-P energy: -37.313 tors. eta vs tors. theta energy: -26.833 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: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -447.672965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.672965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.672965 (E_RNA) where: Base-Base interactions energy: -252.242 where: short stacking energy: -147.513 Base-Backbone interact. energy: 0.317 local terms energy: -195.747969 where: bonds (distance) C4'-P energy: -51.017 bonds (distance) P-C4' energy: -59.511 flat angles C4'-P-C4' energy: -48.690 flat angles P-C4'-P energy: -29.012 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: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -289.298845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.298845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.298845 (E_RNA) where: Base-Base interactions energy: -112.305 where: short stacking energy: -89.735 Base-Backbone interact. energy: 4.743 local terms energy: -181.736660 where: bonds (distance) C4'-P energy: -64.349 bonds (distance) P-C4' energy: -56.066 flat angles C4'-P-C4' energy: -52.855 flat angles P-C4'-P energy: -20.424 tors. eta vs tors. theta energy: 11.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1156.824747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.824747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.824747 (E_RNA) where: Base-Base interactions energy: -785.102 where: short stacking energy: -379.392 Base-Backbone interact. energy: -0.231 local terms energy: -371.492455 where: bonds (distance) C4'-P energy: -60.169 bonds (distance) P-C4' energy: -64.431 flat angles C4'-P-C4' energy: -84.486 flat angles P-C4'-P energy: -53.439 tors. eta vs tors. theta energy: -108.967 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: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1116.142907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.142907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.142907 (E_RNA) where: Base-Base interactions energy: -742.717 where: short stacking energy: -348.827 Base-Backbone interact. energy: -1.027 local terms energy: -372.398902 where: bonds (distance) C4'-P energy: -56.902 bonds (distance) P-C4' energy: -71.035 flat angles C4'-P-C4' energy: -82.834 flat angles P-C4'-P energy: -55.447 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: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1059.186954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.186954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.186954 (E_RNA) where: Base-Base interactions energy: -712.780 where: short stacking energy: -318.966 Base-Backbone interact. energy: -0.909 local terms energy: -345.498247 where: bonds (distance) C4'-P energy: -68.745 bonds (distance) P-C4' energy: -64.750 flat angles C4'-P-C4' energy: -74.414 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -87.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1024.082219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.082219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.082219 (E_RNA) where: Base-Base interactions energy: -682.155 where: short stacking energy: -327.996 Base-Backbone interact. energy: 0.535 local terms energy: -342.462568 where: bonds (distance) C4'-P energy: -57.478 bonds (distance) P-C4' energy: -71.407 flat angles C4'-P-C4' energy: -79.387 flat angles P-C4'-P energy: -43.741 tors. eta vs tors. theta energy: -90.449 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: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -947.583023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.583023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.583023 (E_RNA) where: Base-Base interactions energy: -609.245 where: short stacking energy: -295.865 Base-Backbone interact. energy: 1.396 local terms energy: -339.733577 where: bonds (distance) C4'-P energy: -68.779 bonds (distance) P-C4' energy: -70.435 flat angles C4'-P-C4' energy: -71.307 flat angles P-C4'-P energy: -57.827 tors. eta vs tors. theta energy: -71.386 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: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -815.583174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.583174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.583174 (E_RNA) where: Base-Base interactions energy: -521.438 where: short stacking energy: -242.283 Base-Backbone interact. energy: -0.888 local terms energy: -293.256598 where: bonds (distance) C4'-P energy: -63.119 bonds (distance) P-C4' energy: -64.407 flat angles C4'-P-C4' energy: -71.357 flat angles P-C4'-P energy: -37.644 tors. eta vs tors. theta energy: -56.729 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: 7 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -766.749519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.749519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.749519 (E_RNA) where: Base-Base interactions energy: -476.749 where: short stacking energy: -222.738 Base-Backbone interact. energy: 0.432 local terms energy: -290.432415 where: bonds (distance) C4'-P energy: -55.162 bonds (distance) P-C4' energy: -66.694 flat angles C4'-P-C4' energy: -69.036 flat angles P-C4'-P energy: -37.065 tors. eta vs tors. theta energy: -62.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -571.462277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.462277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.462277 (E_RNA) where: Base-Base interactions energy: -329.303 where: short stacking energy: -179.717 Base-Backbone interact. energy: 0.657 local terms energy: -242.815653 where: bonds (distance) C4'-P energy: -58.395 bonds (distance) P-C4' energy: -64.054 flat angles C4'-P-C4' energy: -57.404 flat angles P-C4'-P energy: -32.061 tors. eta vs tors. theta energy: -30.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -493.629269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.629269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.629269 (E_RNA) where: Base-Base interactions energy: -285.443 where: short stacking energy: -140.096 Base-Backbone interact. energy: 1.737 local terms energy: -209.923474 where: bonds (distance) C4'-P energy: -56.151 bonds (distance) P-C4' energy: -50.282 flat angles C4'-P-C4' energy: -56.142 flat angles P-C4'-P energy: -38.222 tors. eta vs tors. theta energy: -9.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -294.329941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.329941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.329941 (E_RNA) where: Base-Base interactions energy: -93.870 where: short stacking energy: -69.735 Base-Backbone interact. energy: 2.578 local terms energy: -203.038303 where: bonds (distance) C4'-P energy: -61.417 bonds (distance) P-C4' energy: -66.514 flat angles C4'-P-C4' energy: -60.027 flat angles P-C4'-P energy: -26.374 tors. eta vs tors. theta energy: 11.293 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: 1, replica: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1168.003628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.003628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.003628 (E_RNA) where: Base-Base interactions energy: -784.607 where: short stacking energy: -372.454 Base-Backbone interact. energy: 0.973 local terms energy: -384.369041 where: bonds (distance) C4'-P energy: -65.189 bonds (distance) P-C4' energy: -68.137 flat angles C4'-P-C4' energy: -78.301 flat angles P-C4'-P energy: -57.649 tors. eta vs tors. theta energy: -115.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1099.607798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.607798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.607798 (E_RNA) where: Base-Base interactions energy: -712.598 where: short stacking energy: -335.504 Base-Backbone interact. energy: -1.684 local terms energy: -385.325271 where: bonds (distance) C4'-P energy: -70.431 bonds (distance) P-C4' energy: -77.207 flat angles C4'-P-C4' energy: -85.620 flat angles P-C4'-P energy: -44.985 tors. eta vs tors. theta energy: -107.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1036.028361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.028361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.028361 (E_RNA) where: Base-Base interactions energy: -696.031 where: short stacking energy: -322.560 Base-Backbone interact. energy: -1.138 local terms energy: -338.859656 where: bonds (distance) C4'-P energy: -62.168 bonds (distance) P-C4' energy: -64.331 flat angles C4'-P-C4' energy: -79.859 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -87.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1046.155012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.155012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.155012 (E_RNA) where: Base-Base interactions energy: -701.475 where: short stacking energy: -333.775 Base-Backbone interact. energy: 0.522 local terms energy: -345.202222 where: bonds (distance) C4'-P energy: -65.826 bonds (distance) P-C4' energy: -62.498 flat angles C4'-P-C4' energy: -72.917 flat angles P-C4'-P energy: -50.676 tors. eta vs tors. theta energy: -93.286 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: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -923.997211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.997211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.997211 (E_RNA) where: Base-Base interactions energy: -605.014 where: short stacking energy: -284.880 Base-Backbone interact. energy: 0.395 local terms energy: -319.378244 where: bonds (distance) C4'-P energy: -53.889 bonds (distance) P-C4' energy: -72.608 flat angles C4'-P-C4' energy: -72.953 flat angles P-C4'-P energy: -45.158 tors. eta vs tors. theta energy: -74.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -826.317405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.317405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.317405 (E_RNA) where: Base-Base interactions energy: -519.883 where: short stacking energy: -236.458 Base-Backbone interact. energy: -2.131 local terms energy: -304.303552 where: bonds (distance) C4'-P energy: -58.276 bonds (distance) P-C4' energy: -66.380 flat angles C4'-P-C4' energy: -60.342 flat angles P-C4'-P energy: -41.935 tors. eta vs tors. theta energy: -77.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -795.835886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.835886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.835886 (E_RNA) where: Base-Base interactions energy: -523.493 where: short stacking energy: -239.128 Base-Backbone interact. energy: 2.348 local terms energy: -274.690987 where: bonds (distance) C4'-P energy: -55.141 bonds (distance) P-C4' energy: -69.909 flat angles C4'-P-C4' energy: -60.147 flat angles P-C4'-P energy: -42.428 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: 8, replica: 5 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -589.236421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.236421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.236421 (E_RNA) where: Base-Base interactions energy: -353.349 where: short stacking energy: -162.974 Base-Backbone interact. energy: -2.719 local terms energy: -233.168307 where: bonds (distance) C4'-P energy: -57.167 bonds (distance) P-C4' energy: -50.677 flat angles C4'-P-C4' energy: -68.377 flat angles P-C4'-P energy: -24.727 tors. eta vs tors. theta energy: -32.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -484.103855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.103855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.103855 (E_RNA) where: Base-Base interactions energy: -262.783 where: short stacking energy: -117.326 Base-Backbone interact. energy: -0.807 local terms energy: -220.513912 where: bonds (distance) C4'-P energy: -67.344 bonds (distance) P-C4' energy: -60.461 flat angles C4'-P-C4' energy: -46.167 flat angles P-C4'-P energy: -38.546 tors. eta vs tors. theta energy: -7.995 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: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -315.907578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.907578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.907578 (E_RNA) where: Base-Base interactions energy: -130.981 where: short stacking energy: -108.725 Base-Backbone interact. energy: -0.491 local terms energy: -184.434770 where: bonds (distance) C4'-P energy: -43.782 bonds (distance) P-C4' energy: -57.003 flat angles C4'-P-C4' energy: -46.936 flat angles P-C4'-P energy: -30.391 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: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1165.474090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.474090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.474090 (E_RNA) where: Base-Base interactions energy: -783.050 where: short stacking energy: -374.559 Base-Backbone interact. energy: -0.432 local terms energy: -381.992162 where: bonds (distance) C4'-P energy: -66.462 bonds (distance) P-C4' energy: -69.571 flat angles C4'-P-C4' energy: -72.822 flat angles P-C4'-P energy: -59.719 tors. eta vs tors. theta energy: -113.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1138.292863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.292863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.292863 (E_RNA) where: Base-Base interactions energy: -753.893 where: short stacking energy: -368.914 Base-Backbone interact. energy: -1.558 local terms energy: -382.841615 where: bonds (distance) C4'-P energy: -71.737 bonds (distance) P-C4' energy: -63.431 flat angles C4'-P-C4' energy: -80.361 flat angles P-C4'-P energy: -57.585 tors. eta vs tors. theta energy: -109.728 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: 440 Temperature: 1.000000 Total energy: -1037.868896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.868896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.868896 (E_RNA) where: Base-Base interactions energy: -698.932 where: short stacking energy: -322.914 Base-Backbone interact. energy: -2.674 local terms energy: -336.263019 where: bonds (distance) C4'-P energy: -66.580 bonds (distance) P-C4' energy: -50.134 flat angles C4'-P-C4' energy: -74.605 flat angles P-C4'-P energy: -50.270 tors. eta vs tors. theta energy: -94.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1025.515092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.515092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.515092 (E_RNA) where: Base-Base interactions energy: -684.774 where: short stacking energy: -313.057 Base-Backbone interact. energy: 2.268 local terms energy: -343.010008 where: bonds (distance) C4'-P energy: -57.920 bonds (distance) P-C4' energy: -72.459 flat angles C4'-P-C4' energy: -72.628 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -89.416 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: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -927.863229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.863229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.863229 (E_RNA) where: Base-Base interactions energy: -607.184 where: short stacking energy: -263.903 Base-Backbone interact. energy: -2.176 local terms energy: -318.503368 where: bonds (distance) C4'-P energy: -58.903 bonds (distance) P-C4' energy: -69.096 flat angles C4'-P-C4' energy: -64.330 flat angles P-C4'-P energy: -46.814 tors. eta vs tors. theta energy: -79.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -804.504469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.504469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.504469 (E_RNA) where: Base-Base interactions energy: -521.851 where: short stacking energy: -241.394 Base-Backbone interact. energy: 1.658 local terms energy: -284.311139 where: bonds (distance) C4'-P energy: -64.406 bonds (distance) P-C4' energy: -56.971 flat angles C4'-P-C4' energy: -58.923 flat angles P-C4'-P energy: -42.246 tors. eta vs tors. theta energy: -61.765 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: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -808.452519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.452519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.452519 (E_RNA) where: Base-Base interactions energy: -509.773 where: short stacking energy: -241.741 Base-Backbone interact. energy: -1.169 local terms energy: -297.509943 where: bonds (distance) C4'-P energy: -66.784 bonds (distance) P-C4' energy: -57.342 flat angles C4'-P-C4' energy: -68.255 flat angles P-C4'-P energy: -49.636 tors. eta vs tors. theta energy: -55.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -577.485111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.485111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.485111 (E_RNA) where: Base-Base interactions energy: -327.430 where: short stacking energy: -158.541 Base-Backbone interact. energy: 2.719 local terms energy: -252.774174 where: bonds (distance) C4'-P energy: -66.191 bonds (distance) P-C4' energy: -60.148 flat angles C4'-P-C4' energy: -65.573 flat angles P-C4'-P energy: -39.595 tors. eta vs tors. theta energy: -21.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -462.712788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.712788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.712788 (E_RNA) where: Base-Base interactions energy: -246.689 where: short stacking energy: -145.165 Base-Backbone interact. energy: -1.355 local terms energy: -214.668708 where: bonds (distance) C4'-P energy: -50.329 bonds (distance) P-C4' energy: -63.728 flat angles C4'-P-C4' energy: -48.906 flat angles P-C4'-P energy: -22.484 tors. eta vs tors. theta energy: -29.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -293.163570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.163570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.163570 (E_RNA) where: Base-Base interactions energy: -107.314 where: short stacking energy: -98.537 Base-Backbone interact. energy: -0.216 local terms energy: -185.633157 where: bonds (distance) C4'-P energy: -52.371 bonds (distance) P-C4' energy: -66.126 flat angles C4'-P-C4' energy: -61.764 flat angles P-C4'-P energy: -26.035 tors. eta vs tors. theta energy: 20.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1141.438056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.438056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.438056 (E_RNA) where: Base-Base interactions energy: -747.994 where: short stacking energy: -351.031 Base-Backbone interact. energy: 0.523 local terms energy: -393.967544 where: bonds (distance) C4'-P energy: -72.590 bonds (distance) P-C4' energy: -63.202 flat angles C4'-P-C4' energy: -80.840 flat angles P-C4'-P energy: -64.922 tors. eta vs tors. theta energy: -112.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1131.157541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.157541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.157541 (E_RNA) where: Base-Base interactions energy: -748.243 where: short stacking energy: -365.663 Base-Backbone interact. energy: 1.454 local terms energy: -384.368445 where: bonds (distance) C4'-P energy: -68.663 bonds (distance) P-C4' energy: -72.116 flat angles C4'-P-C4' energy: -79.158 flat angles P-C4'-P energy: -59.826 tors. eta vs tors. theta energy: -104.604 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: 4 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1047.135272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.135272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.135272 (E_RNA) where: Base-Base interactions energy: -718.503 where: short stacking energy: -328.051 Base-Backbone interact. energy: 0.236 local terms energy: -328.868668 where: bonds (distance) C4'-P energy: -48.596 bonds (distance) P-C4' energy: -66.788 flat angles C4'-P-C4' energy: -71.356 flat angles P-C4'-P energy: -44.192 tors. eta vs tors. theta energy: -97.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1016.626615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.626615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.626615 (E_RNA) where: Base-Base interactions energy: -697.443 where: short stacking energy: -325.271 Base-Backbone interact. energy: 0.285 local terms energy: -319.468879 where: bonds (distance) C4'-P energy: -49.990 bonds (distance) P-C4' energy: -73.592 flat angles C4'-P-C4' energy: -62.231 flat angles P-C4'-P energy: -46.871 tors. eta vs tors. theta energy: -86.785 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: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -918.116403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.116403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.116403 (E_RNA) where: Base-Base interactions energy: -606.181 where: short stacking energy: -285.671 Base-Backbone interact. energy: -2.259 local terms energy: -309.676883 where: bonds (distance) C4'-P energy: -52.788 bonds (distance) P-C4' energy: -56.118 flat angles C4'-P-C4' energy: -77.080 flat angles P-C4'-P energy: -42.807 tors. eta vs tors. theta energy: -80.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -845.348955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.348955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.348955 (E_RNA) where: Base-Base interactions energy: -553.573 where: short stacking energy: -254.945 Base-Backbone interact. energy: 2.623 local terms energy: -294.398465 where: bonds (distance) C4'-P energy: -55.470 bonds (distance) P-C4' energy: -59.636 flat angles C4'-P-C4' energy: -69.506 flat angles P-C4'-P energy: -44.378 tors. eta vs tors. theta energy: -65.408 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: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -711.691592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.691592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.691592 (E_RNA) where: Base-Base interactions energy: -433.191 where: short stacking energy: -200.356 Base-Backbone interact. energy: 1.410 local terms energy: -279.910064 where: bonds (distance) C4'-P energy: -56.739 bonds (distance) P-C4' energy: -66.003 flat angles C4'-P-C4' energy: -65.270 flat angles P-C4'-P energy: -48.746 tors. eta vs tors. theta energy: -43.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -508.589766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.589766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.589766 (E_RNA) where: Base-Base interactions energy: -304.467 where: short stacking energy: -155.405 Base-Backbone interact. energy: 0.459 local terms energy: -204.581736 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -54.563 flat angles C4'-P-C4' energy: -51.674 flat angles P-C4'-P energy: -28.915 tors. eta vs tors. theta energy: -15.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -465.005326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.005326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.005326 (E_RNA) where: Base-Base interactions energy: -247.589 where: short stacking energy: -134.096 Base-Backbone interact. energy: 0.472 local terms energy: -217.888528 where: bonds (distance) C4'-P energy: -52.149 bonds (distance) P-C4' energy: -50.900 flat angles C4'-P-C4' energy: -55.314 flat angles P-C4'-P energy: -36.882 tors. eta vs tors. theta energy: -22.643 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: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -274.546636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.546636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.546636 (E_RNA) where: Base-Base interactions energy: -88.296 where: short stacking energy: -74.062 Base-Backbone interact. energy: 0.966 local terms energy: -187.216563 where: bonds (distance) C4'-P energy: -59.668 bonds (distance) P-C4' energy: -60.504 flat angles C4'-P-C4' energy: -43.699 flat angles P-C4'-P energy: -38.526 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: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1162.877677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.877677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.877677 (E_RNA) where: Base-Base interactions energy: -775.048 where: short stacking energy: -384.651 Base-Backbone interact. energy: -0.668 local terms energy: -387.161063 where: bonds (distance) C4'-P energy: -69.755 bonds (distance) P-C4' energy: -71.032 flat angles C4'-P-C4' energy: -79.811 flat angles P-C4'-P energy: -55.462 tors. eta vs tors. theta energy: -111.101 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: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1121.113095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.113095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.113095 (E_RNA) where: Base-Base interactions energy: -741.051 where: short stacking energy: -351.706 Base-Backbone interact. energy: -0.325 local terms energy: -379.737095 where: bonds (distance) C4'-P energy: -73.738 bonds (distance) P-C4' energy: -74.217 flat angles C4'-P-C4' energy: -78.320 flat angles P-C4'-P energy: -50.565 tors. eta vs tors. theta energy: -102.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1056.508718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.508718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.508718 (E_RNA) where: Base-Base interactions energy: -723.550 where: short stacking energy: -315.516 Base-Backbone interact. energy: -1.061 local terms energy: -331.897377 where: bonds (distance) C4'-P energy: -70.683 bonds (distance) P-C4' energy: -58.939 flat angles C4'-P-C4' energy: -73.055 flat angles P-C4'-P energy: -45.935 tors. eta vs tors. theta energy: -83.286 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: 4, replica: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1060.978095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.978095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.978095 (E_RNA) where: Base-Base interactions energy: -724.156 where: short stacking energy: -327.057 Base-Backbone interact. energy: -0.059 local terms energy: -336.763491 where: bonds (distance) C4'-P energy: -56.329 bonds (distance) P-C4' energy: -71.724 flat angles C4'-P-C4' energy: -83.199 flat angles P-C4'-P energy: -39.817 tors. eta vs tors. theta energy: -85.695 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: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -936.298306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.298306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.298306 (E_RNA) where: Base-Base interactions energy: -621.384 where: short stacking energy: -273.887 Base-Backbone interact. energy: -1.457 local terms energy: -313.457196 where: bonds (distance) C4'-P energy: -67.965 bonds (distance) P-C4' energy: -58.224 flat angles C4'-P-C4' energy: -65.975 flat angles P-C4'-P energy: -48.915 tors. eta vs tors. theta energy: -72.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -815.622861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.622861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.622861 (E_RNA) where: Base-Base interactions energy: -540.857 where: short stacking energy: -244.769 Base-Backbone interact. energy: -0.825 local terms energy: -273.941719 where: bonds (distance) C4'-P energy: -50.463 bonds (distance) P-C4' energy: -59.663 flat angles C4'-P-C4' energy: -64.410 flat angles P-C4'-P energy: -50.608 tors. eta vs tors. theta energy: -48.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -715.623262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.623262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.623262 (E_RNA) where: Base-Base interactions energy: -438.590 where: short stacking energy: -220.536 Base-Backbone interact. energy: -1.498 local terms energy: -275.536037 where: bonds (distance) C4'-P energy: -56.314 bonds (distance) P-C4' energy: -67.628 flat angles C4'-P-C4' energy: -55.374 flat angles P-C4'-P energy: -39.654 tors. eta vs tors. theta energy: -56.566 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: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -544.041982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.041982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.041982 (E_RNA) where: Base-Base interactions energy: -336.944 where: short stacking energy: -179.447 Base-Backbone interact. energy: -0.920 local terms energy: -206.177499 where: bonds (distance) C4'-P energy: -54.855 bonds (distance) P-C4' energy: -50.168 flat angles C4'-P-C4' energy: -54.614 flat angles P-C4'-P energy: -25.174 tors. eta vs tors. theta energy: -21.366 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: 442 Temperature: 1.300000 Total energy: -498.944606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.944606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.944606 (E_RNA) where: Base-Base interactions energy: -285.108 where: short stacking energy: -150.117 Base-Backbone interact. energy: -0.301 local terms energy: -213.535837 where: bonds (distance) C4'-P energy: -62.795 bonds (distance) P-C4' energy: -49.716 flat angles C4'-P-C4' energy: -57.386 flat angles P-C4'-P energy: -25.360 tors. eta vs tors. theta energy: -18.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -341.456374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.456374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.456374 (E_RNA) where: Base-Base interactions energy: -164.716 where: short stacking energy: -114.165 Base-Backbone interact. energy: -1.146 local terms energy: -175.593828 where: bonds (distance) C4'-P energy: -37.938 bonds (distance) P-C4' energy: -67.939 flat angles C4'-P-C4' energy: -29.910 flat angles P-C4'-P energy: -29.509 tors. eta vs tors. theta energy: -10.297 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: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1173.351033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.351033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.351033 (E_RNA) where: Base-Base interactions energy: -789.984 where: short stacking energy: -384.187 Base-Backbone interact. energy: -1.578 local terms energy: -381.789519 where: bonds (distance) C4'-P energy: -65.352 bonds (distance) P-C4' energy: -76.871 flat angles C4'-P-C4' energy: -73.971 flat angles P-C4'-P energy: -49.703 tors. eta vs tors. theta energy: -115.892 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: 2, replica: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1113.191003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.191003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.191003 (E_RNA) where: Base-Base interactions energy: -743.508 where: short stacking energy: -354.992 Base-Backbone interact. energy: 0.001 local terms energy: -369.683843 where: bonds (distance) C4'-P energy: -72.086 bonds (distance) P-C4' energy: -64.704 flat angles C4'-P-C4' energy: -81.395 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -108.347 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: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1059.124532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.124532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.124532 (E_RNA) where: Base-Base interactions energy: -712.688 where: short stacking energy: -328.320 Base-Backbone interact. energy: -0.365 local terms energy: -346.071011 where: bonds (distance) C4'-P energy: -61.919 bonds (distance) P-C4' energy: -66.726 flat angles C4'-P-C4' energy: -76.298 flat angles P-C4'-P energy: -50.863 tors. eta vs tors. theta energy: -90.266 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: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1054.098475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.098475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.098475 (E_RNA) where: Base-Base interactions energy: -731.675 where: short stacking energy: -334.944 Base-Backbone interact. energy: 3.022 local terms energy: -325.445849 where: bonds (distance) C4'-P energy: -59.067 bonds (distance) P-C4' energy: -58.776 flat angles C4'-P-C4' energy: -77.139 flat angles P-C4'-P energy: -46.059 tors. eta vs tors. theta energy: -84.404 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: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -928.755448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.755448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.755448 (E_RNA) where: Base-Base interactions energy: -622.284 where: short stacking energy: -290.457 Base-Backbone interact. energy: -0.390 local terms energy: -306.081953 where: bonds (distance) C4'-P energy: -62.069 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -66.905 flat angles P-C4'-P energy: -43.894 tors. eta vs tors. theta energy: -67.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -830.415031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.415031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.415031 (E_RNA) where: Base-Base interactions energy: -536.113 where: short stacking energy: -238.984 Base-Backbone interact. energy: -1.879 local terms energy: -292.423014 where: bonds (distance) C4'-P energy: -67.514 bonds (distance) P-C4' energy: -65.776 flat angles C4'-P-C4' energy: -59.932 flat angles P-C4'-P energy: -39.751 tors. eta vs tors. theta energy: -59.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -727.012972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.012972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.012972 (E_RNA) where: Base-Base interactions energy: -460.703 where: short stacking energy: -224.460 Base-Backbone interact. energy: -0.175 local terms energy: -266.134969 where: bonds (distance) C4'-P energy: -72.385 bonds (distance) P-C4' energy: -56.845 flat angles C4'-P-C4' energy: -67.758 flat angles P-C4'-P energy: -27.392 tors. eta vs tors. theta energy: -41.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -553.904523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.904523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.904523 (E_RNA) where: Base-Base interactions energy: -329.648 where: short stacking energy: -178.601 Base-Backbone interact. energy: -1.259 local terms energy: -222.997656 where: bonds (distance) C4'-P energy: -57.321 bonds (distance) P-C4' energy: -65.151 flat angles C4'-P-C4' energy: -50.528 flat angles P-C4'-P energy: -28.711 tors. eta vs tors. theta energy: -21.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -443.584044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.584044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.584044 (E_RNA) where: Base-Base interactions energy: -242.985 where: short stacking energy: -131.963 Base-Backbone interact. energy: 5.180 local terms energy: -205.778942 where: bonds (distance) C4'-P energy: -49.177 bonds (distance) P-C4' energy: -58.458 flat angles C4'-P-C4' energy: -47.083 flat angles P-C4'-P energy: -41.941 tors. eta vs tors. theta energy: -9.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -398.635324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.635324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.635324 (E_RNA) where: Base-Base interactions energy: -194.159 where: short stacking energy: -114.859 Base-Backbone interact. energy: 3.408 local terms energy: -207.884956 where: bonds (distance) C4'-P energy: -47.170 bonds (distance) P-C4' energy: -60.498 flat angles C4'-P-C4' energy: -55.520 flat angles P-C4'-P energy: -38.306 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1175.670497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.670497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.670497 (E_RNA) where: Base-Base interactions energy: -787.520 where: short stacking energy: -381.337 Base-Backbone interact. energy: 0.026 local terms energy: -388.176251 where: bonds (distance) C4'-P energy: -65.853 bonds (distance) P-C4' energy: -68.712 flat angles C4'-P-C4' energy: -81.509 flat angles P-C4'-P energy: -51.781 tors. eta vs tors. theta energy: -120.322 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: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1098.816651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.816651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.816651 (E_RNA) where: Base-Base interactions energy: -721.640 where: short stacking energy: -350.209 Base-Backbone interact. energy: -0.518 local terms energy: -376.658851 where: bonds (distance) C4'-P energy: -57.638 bonds (distance) P-C4' energy: -74.625 flat angles C4'-P-C4' energy: -81.011 flat angles P-C4'-P energy: -57.381 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: 444 Temperature: 1.000000 Total energy: -1051.821362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.821362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.821362 (E_RNA) where: Base-Base interactions energy: -688.131 where: short stacking energy: -309.866 Base-Backbone interact. energy: -1.449 local terms energy: -362.240696 where: bonds (distance) C4'-P energy: -64.623 bonds (distance) P-C4' energy: -69.223 flat angles C4'-P-C4' energy: -84.267 flat angles P-C4'-P energy: -56.118 tors. eta vs tors. theta energy: -88.010 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: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1077.682808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.682808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.682808 (E_RNA) where: Base-Base interactions energy: -740.549 where: short stacking energy: -338.002 Base-Backbone interact. energy: -0.598 local terms energy: -336.536183 where: bonds (distance) C4'-P energy: -57.981 bonds (distance) P-C4' energy: -70.281 flat angles C4'-P-C4' energy: -66.284 flat angles P-C4'-P energy: -49.897 tors. eta vs tors. theta energy: -92.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -958.230897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.230897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.230897 (E_RNA) where: Base-Base interactions energy: -637.510 where: short stacking energy: -300.126 Base-Backbone interact. energy: -0.471 local terms energy: -320.250006 where: bonds (distance) C4'-P energy: -60.871 bonds (distance) P-C4' energy: -62.465 flat angles C4'-P-C4' energy: -74.305 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -82.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -805.659759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.659759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.659759 (E_RNA) where: Base-Base interactions energy: -492.650 where: short stacking energy: -235.660 Base-Backbone interact. energy: -0.304 local terms energy: -312.705277 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -74.444 flat angles C4'-P-C4' energy: -70.007 flat angles P-C4'-P energy: -44.480 tors. eta vs tors. theta energy: -62.688 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: 7 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -762.523652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.523652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.523652 (E_RNA) where: Base-Base interactions energy: -487.742 where: short stacking energy: -235.230 Base-Backbone interact. energy: -0.814 local terms energy: -273.968138 where: bonds (distance) C4'-P energy: -55.991 bonds (distance) P-C4' energy: -62.315 flat angles C4'-P-C4' energy: -56.414 flat angles P-C4'-P energy: -40.917 tors. eta vs tors. theta energy: -58.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -519.686232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.686232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.686232 (E_RNA) where: Base-Base interactions energy: -308.244 where: short stacking energy: -157.817 Base-Backbone interact. energy: -0.089 local terms energy: -211.352874 where: bonds (distance) C4'-P energy: -52.502 bonds (distance) P-C4' energy: -57.043 flat angles C4'-P-C4' energy: -62.429 flat angles P-C4'-P energy: -23.791 tors. eta vs tors. theta energy: -15.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -476.679160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.679160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.679160 (E_RNA) where: Base-Base interactions energy: -261.758 where: short stacking energy: -134.864 Base-Backbone interact. energy: -1.714 local terms energy: -213.207861 where: bonds (distance) C4'-P energy: -64.377 bonds (distance) P-C4' energy: -56.086 flat angles C4'-P-C4' energy: -49.624 flat angles P-C4'-P energy: -35.845 tors. eta vs tors. theta energy: -7.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -361.077103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.077103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.077103 (E_RNA) where: Base-Base interactions energy: -169.457 where: short stacking energy: -102.524 Base-Backbone interact. energy: 2.030 local terms energy: -193.650794 where: bonds (distance) C4'-P energy: -57.499 bonds (distance) P-C4' energy: -59.765 flat angles C4'-P-C4' energy: -55.463 flat angles P-C4'-P energy: -30.598 tors. eta vs tors. theta energy: 9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1197.411790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.411790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.411790 (E_RNA) where: Base-Base interactions energy: -794.188 where: short stacking energy: -386.866 Base-Backbone interact. energy: -0.265 local terms energy: -402.958307 where: bonds (distance) C4'-P energy: -71.210 bonds (distance) P-C4' energy: -74.522 flat angles C4'-P-C4' energy: -83.353 flat angles P-C4'-P energy: -57.052 tors. eta vs tors. theta energy: -116.821 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: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1118.712587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.712587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.712587 (E_RNA) where: Base-Base interactions energy: -748.105 where: short stacking energy: -349.016 Base-Backbone interact. energy: 1.324 local terms energy: -371.931618 where: bonds (distance) C4'-P energy: -75.186 bonds (distance) P-C4' energy: -64.744 flat angles C4'-P-C4' energy: -76.070 flat angles P-C4'-P energy: -53.614 tors. eta vs tors. theta energy: -102.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1063.360716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.360716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.360716 (E_RNA) where: Base-Base interactions energy: -695.841 where: short stacking energy: -331.072 Base-Backbone interact. energy: -0.517 local terms energy: -367.002330 where: bonds (distance) C4'-P energy: -74.737 bonds (distance) P-C4' energy: -71.042 flat angles C4'-P-C4' energy: -74.950 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -88.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1054.072291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.072291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.072291 (E_RNA) where: Base-Base interactions energy: -727.797 where: short stacking energy: -330.715 Base-Backbone interact. energy: 0.363 local terms energy: -326.638238 where: bonds (distance) C4'-P energy: -60.156 bonds (distance) P-C4' energy: -54.522 flat angles C4'-P-C4' energy: -78.818 flat angles P-C4'-P energy: -47.973 tors. eta vs tors. theta energy: -85.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -894.822579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.822579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.822579 (E_RNA) where: Base-Base interactions energy: -573.944 where: short stacking energy: -251.019 Base-Backbone interact. energy: -0.806 local terms energy: -320.073006 where: bonds (distance) C4'-P energy: -71.098 bonds (distance) P-C4' energy: -67.602 flat angles C4'-P-C4' energy: -66.279 flat angles P-C4'-P energy: -44.544 tors. eta vs tors. theta energy: -70.550 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: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -762.960147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.960147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.960147 (E_RNA) where: Base-Base interactions energy: -504.120 where: short stacking energy: -230.520 Base-Backbone interact. energy: 0.467 local terms energy: -259.307330 where: bonds (distance) C4'-P energy: -56.885 bonds (distance) P-C4' energy: -55.470 flat angles C4'-P-C4' energy: -52.378 flat angles P-C4'-P energy: -42.402 tors. eta vs tors. theta energy: -52.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -800.030109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.030109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.030109 (E_RNA) where: Base-Base interactions energy: -495.130 where: short stacking energy: -233.506 Base-Backbone interact. energy: -0.992 local terms energy: -303.908181 where: bonds (distance) C4'-P energy: -63.256 bonds (distance) P-C4' energy: -59.655 flat angles C4'-P-C4' energy: -71.165 flat angles P-C4'-P energy: -52.107 tors. eta vs tors. theta energy: -57.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -525.645979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.645979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.645979 (E_RNA) where: Base-Base interactions energy: -285.644 where: short stacking energy: -133.162 Base-Backbone interact. energy: 3.385 local terms energy: -243.387458 where: bonds (distance) C4'-P energy: -64.562 bonds (distance) P-C4' energy: -63.254 flat angles C4'-P-C4' energy: -58.251 flat angles P-C4'-P energy: -36.337 tors. eta vs tors. theta energy: -20.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -480.762265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.762265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.762265 (E_RNA) where: Base-Base interactions energy: -269.766 where: short stacking energy: -131.073 Base-Backbone interact. energy: 6.828 local terms energy: -217.824097 where: bonds (distance) C4'-P energy: -49.804 bonds (distance) P-C4' energy: -50.186 flat angles C4'-P-C4' energy: -69.393 flat angles P-C4'-P energy: -34.127 tors. eta vs tors. theta energy: -14.314 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: 445 Temperature: 1.350000 Total energy: -329.411522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.411522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.411522 (E_RNA) where: Base-Base interactions energy: -147.878 where: short stacking energy: -100.758 Base-Backbone interact. energy: 1.785 local terms energy: -183.318273 where: bonds (distance) C4'-P energy: -56.694 bonds (distance) P-C4' energy: -58.246 flat angles C4'-P-C4' energy: -47.281 flat angles P-C4'-P energy: -19.945 tors. eta vs tors. theta energy: -1.152 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: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1175.591928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.591928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.591928 (E_RNA) where: Base-Base interactions energy: -807.274 where: short stacking energy: -393.335 Base-Backbone interact. energy: 0.143 local terms energy: -368.460895 where: bonds (distance) C4'-P energy: -67.469 bonds (distance) P-C4' energy: -58.404 flat angles C4'-P-C4' energy: -79.504 flat angles P-C4'-P energy: -47.226 tors. eta vs tors. theta energy: -115.858 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: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1097.631277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.631277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.631277 (E_RNA) where: Base-Base interactions energy: -725.585 where: short stacking energy: -339.978 Base-Backbone interact. energy: -0.586 local terms energy: -371.460493 where: bonds (distance) C4'-P energy: -61.935 bonds (distance) P-C4' energy: -77.577 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -54.429 tors. eta vs tors. theta energy: -107.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1072.173639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.173639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.173639 (E_RNA) where: Base-Base interactions energy: -729.577 where: short stacking energy: -342.835 Base-Backbone interact. energy: -1.043 local terms energy: -341.553288 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -56.338 flat angles C4'-P-C4' energy: -74.460 flat angles P-C4'-P energy: -46.776 tors. eta vs tors. theta energy: -98.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1025.435806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.435806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.435806 (E_RNA) where: Base-Base interactions energy: -706.210 where: short stacking energy: -312.316 Base-Backbone interact. energy: 1.040 local terms energy: -320.265826 where: bonds (distance) C4'-P energy: -52.327 bonds (distance) P-C4' energy: -60.554 flat angles C4'-P-C4' energy: -69.873 flat angles P-C4'-P energy: -48.340 tors. eta vs tors. theta energy: -89.172 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: 5, replica: 3 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -915.698639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.698639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.698639 (E_RNA) where: Base-Base interactions energy: -581.020 where: short stacking energy: -262.393 Base-Backbone interact. energy: -0.563 local terms energy: -334.116250 where: bonds (distance) C4'-P energy: -64.509 bonds (distance) P-C4' energy: -72.135 flat angles C4'-P-C4' energy: -72.719 flat angles P-C4'-P energy: -46.272 tors. eta vs tors. theta energy: -78.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -846.965176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.965176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.965176 (E_RNA) where: Base-Base interactions energy: -543.496 where: short stacking energy: -256.285 Base-Backbone interact. energy: -2.400 local terms energy: -301.069547 where: bonds (distance) C4'-P energy: -63.839 bonds (distance) P-C4' energy: -63.548 flat angles C4'-P-C4' energy: -72.178 flat angles P-C4'-P energy: -42.117 tors. eta vs tors. theta energy: -59.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -745.711328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.711328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.711328 (E_RNA) where: Base-Base interactions energy: -478.061 where: short stacking energy: -230.523 Base-Backbone interact. energy: -1.098 local terms energy: -266.552625 where: bonds (distance) C4'-P energy: -64.357 bonds (distance) P-C4' energy: -46.821 flat angles C4'-P-C4' energy: -62.164 flat angles P-C4'-P energy: -43.212 tors. eta vs tors. theta energy: -49.998 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: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -521.530516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.530516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.530516 (E_RNA) where: Base-Base interactions energy: -283.476 where: short stacking energy: -140.789 Base-Backbone interact. energy: -0.892 local terms energy: -237.162348 where: bonds (distance) C4'-P energy: -59.797 bonds (distance) P-C4' energy: -58.072 flat angles C4'-P-C4' energy: -58.098 flat angles P-C4'-P energy: -41.332 tors. eta vs tors. theta energy: -19.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -472.968840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.968840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.968840 (E_RNA) where: Base-Base interactions energy: -265.302 where: short stacking energy: -149.569 Base-Backbone interact. energy: -1.529 local terms energy: -206.138198 where: bonds (distance) C4'-P energy: -59.177 bonds (distance) P-C4' energy: -46.055 flat angles C4'-P-C4' energy: -60.818 flat angles P-C4'-P energy: -27.574 tors. eta vs tors. theta energy: -12.515 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: 446 Temperature: 1.350000 Total energy: -342.146018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.146018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.146018 (E_RNA) where: Base-Base interactions energy: -140.642 where: short stacking energy: -102.755 Base-Backbone interact. energy: 4.694 local terms energy: -206.197875 where: bonds (distance) C4'-P energy: -54.715 bonds (distance) P-C4' energy: -55.357 flat angles C4'-P-C4' energy: -51.013 flat angles P-C4'-P energy: -34.857 tors. eta vs tors. theta energy: -10.256 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: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1175.056339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.056339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.056339 (E_RNA) where: Base-Base interactions energy: -770.361 where: short stacking energy: -369.654 Base-Backbone interact. energy: -0.756 local terms energy: -403.939835 where: bonds (distance) C4'-P energy: -69.784 bonds (distance) P-C4' energy: -68.284 flat angles C4'-P-C4' energy: -82.495 flat angles P-C4'-P energy: -65.212 tors. eta vs tors. theta energy: -118.164 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: 447 Temperature: 0.950000 Total energy: -1096.734026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.734026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.734026 (E_RNA) where: Base-Base interactions energy: -743.735 where: short stacking energy: -353.139 Base-Backbone interact. energy: -0.765 local terms energy: -352.234281 where: bonds (distance) C4'-P energy: -72.983 bonds (distance) P-C4' energy: -58.049 flat angles C4'-P-C4' energy: -68.791 flat angles P-C4'-P energy: -50.891 tors. eta vs tors. theta energy: -101.520 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: 10 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1057.314632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.314632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.314632 (E_RNA) where: Base-Base interactions energy: -711.264 where: short stacking energy: -321.315 Base-Backbone interact. energy: -0.440 local terms energy: -345.610568 where: bonds (distance) C4'-P energy: -63.994 bonds (distance) P-C4' energy: -74.890 flat angles C4'-P-C4' energy: -70.200 flat angles P-C4'-P energy: -48.643 tors. eta vs tors. theta energy: -87.884 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: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -990.087233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.087233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.087233 (E_RNA) where: Base-Base interactions energy: -665.984 where: short stacking energy: -310.934 Base-Backbone interact. energy: 0.765 local terms energy: -324.868866 where: bonds (distance) C4'-P energy: -57.944 bonds (distance) P-C4' energy: -65.940 flat angles C4'-P-C4' energy: -69.377 flat angles P-C4'-P energy: -51.854 tors. eta vs tors. theta energy: -79.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -905.878630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.878630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.878630 (E_RNA) where: Base-Base interactions energy: -583.713 where: short stacking energy: -289.784 Base-Backbone interact. energy: -1.527 local terms energy: -320.639148 where: bonds (distance) C4'-P energy: -67.475 bonds (distance) P-C4' energy: -53.327 flat angles C4'-P-C4' energy: -71.099 flat angles P-C4'-P energy: -51.859 tors. eta vs tors. theta energy: -76.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -803.922891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.922891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.922891 (E_RNA) where: Base-Base interactions energy: -517.799 where: short stacking energy: -255.149 Base-Backbone interact. energy: 3.920 local terms energy: -290.043906 where: bonds (distance) C4'-P energy: -65.875 bonds (distance) P-C4' energy: -63.110 flat angles C4'-P-C4' energy: -52.994 flat angles P-C4'-P energy: -42.500 tors. eta vs tors. theta energy: -65.566 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: 447 Temperature: 1.200000 Total energy: -804.943135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.943135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.943135 (E_RNA) where: Base-Base interactions energy: -499.314 where: short stacking energy: -226.708 Base-Backbone interact. energy: -1.253 local terms energy: -304.376169 where: bonds (distance) C4'-P energy: -68.277 bonds (distance) P-C4' energy: -66.838 flat angles C4'-P-C4' energy: -69.896 flat angles P-C4'-P energy: -41.093 tors. eta vs tors. theta energy: -58.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -527.136812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.136812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.136812 (E_RNA) where: Base-Base interactions energy: -306.963 where: short stacking energy: -126.467 Base-Backbone interact. energy: -0.547 local terms energy: -219.627355 where: bonds (distance) C4'-P energy: -57.090 bonds (distance) P-C4' energy: -69.679 flat angles C4'-P-C4' energy: -50.983 flat angles P-C4'-P energy: -33.012 tors. eta vs tors. theta energy: -8.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -368.283868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.283868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.283868 (E_RNA) where: Base-Base interactions energy: -184.852 where: short stacking energy: -111.730 Base-Backbone interact. energy: 5.042 local terms energy: -188.473649 where: bonds (distance) C4'-P energy: -60.385 bonds (distance) P-C4' energy: -61.016 flat angles C4'-P-C4' energy: -49.814 flat angles P-C4'-P energy: -15.235 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -309.867572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.867572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.867572 (E_RNA) where: Base-Base interactions energy: -125.505 where: short stacking energy: -77.301 Base-Backbone interact. energy: -1.947 local terms energy: -182.415232 where: bonds (distance) C4'-P energy: -50.091 bonds (distance) P-C4' energy: -56.599 flat angles C4'-P-C4' energy: -50.059 flat angles P-C4'-P energy: -27.708 tors. eta vs tors. theta energy: 2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1180.515049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.515049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.515049 (E_RNA) where: Base-Base interactions energy: -789.673 where: short stacking energy: -375.265 Base-Backbone interact. energy: -0.660 local terms energy: -390.181911 where: bonds (distance) C4'-P energy: -73.738 bonds (distance) P-C4' energy: -77.205 flat angles C4'-P-C4' energy: -71.330 flat angles P-C4'-P energy: -54.427 tors. eta vs tors. theta energy: -113.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1098.444640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.444640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.444640 (E_RNA) where: Base-Base interactions energy: -756.046 where: short stacking energy: -324.326 Base-Backbone interact. energy: -1.686 local terms energy: -340.712538 where: bonds (distance) C4'-P energy: -65.170 bonds (distance) P-C4' energy: -63.403 flat angles C4'-P-C4' energy: -78.356 flat angles P-C4'-P energy: -50.141 tors. eta vs tors. theta energy: -83.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1076.251459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.251459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.251459 (E_RNA) where: Base-Base interactions energy: -734.879 where: short stacking energy: -347.481 Base-Backbone interact. energy: -0.221 local terms energy: -341.152066 where: bonds (distance) C4'-P energy: -51.777 bonds (distance) P-C4' energy: -67.882 flat angles C4'-P-C4' energy: -68.826 flat angles P-C4'-P energy: -49.720 tors. eta vs tors. theta energy: -102.947 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: 4 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -965.273058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.273058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.273058 (E_RNA) where: Base-Base interactions energy: -647.946 where: short stacking energy: -286.623 Base-Backbone interact. energy: 0.927 local terms energy: -318.254204 where: bonds (distance) C4'-P energy: -66.843 bonds (distance) P-C4' energy: -55.334 flat angles C4'-P-C4' energy: -65.726 flat angles P-C4'-P energy: -44.726 tors. eta vs tors. theta energy: -85.625 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: 448 Temperature: 1.100000 Total energy: -924.743028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.743028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.743028 (E_RNA) where: Base-Base interactions energy: -590.897 where: short stacking energy: -284.838 Base-Backbone interact. energy: 0.012 local terms energy: -333.858266 where: bonds (distance) C4'-P energy: -59.192 bonds (distance) P-C4' energy: -67.738 flat angles C4'-P-C4' energy: -77.149 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: -84.317 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: 6, replica: 8 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -813.189239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.189239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.189239 (E_RNA) where: Base-Base interactions energy: -536.294 where: short stacking energy: -274.010 Base-Backbone interact. energy: -0.682 local terms energy: -276.213410 where: bonds (distance) C4'-P energy: -55.412 bonds (distance) P-C4' energy: -43.377 flat angles C4'-P-C4' energy: -69.030 flat angles P-C4'-P energy: -38.629 tors. eta vs tors. theta energy: -69.765 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: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -783.248697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.248697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.248697 (E_RNA) where: Base-Base interactions energy: -518.844 where: short stacking energy: -235.162 Base-Backbone interact. energy: -0.757 local terms energy: -263.647883 where: bonds (distance) C4'-P energy: -58.807 bonds (distance) P-C4' energy: -58.593 flat angles C4'-P-C4' energy: -59.925 flat angles P-C4'-P energy: -25.128 tors. eta vs tors. theta energy: -61.195 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: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -531.008679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.008679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.008679 (E_RNA) where: Base-Base interactions energy: -321.511 where: short stacking energy: -153.645 Base-Backbone interact. energy: -1.992 local terms energy: -207.505088 where: bonds (distance) C4'-P energy: -45.472 bonds (distance) P-C4' energy: -59.440 flat angles C4'-P-C4' energy: -55.437 flat angles P-C4'-P energy: -29.645 tors. eta vs tors. theta energy: -17.512 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: 2 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -492.530928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.530928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.530928 (E_RNA) where: Base-Base interactions energy: -294.168 where: short stacking energy: -146.316 Base-Backbone interact. energy: -1.678 local terms energy: -196.685278 where: bonds (distance) C4'-P energy: -36.158 bonds (distance) P-C4' energy: -52.539 flat angles C4'-P-C4' energy: -60.978 flat angles P-C4'-P energy: -44.218 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -341.334712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.334712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.334712 (E_RNA) where: Base-Base interactions energy: -143.239 where: short stacking energy: -103.601 Base-Backbone interact. energy: -1.292 local terms energy: -196.803678 where: bonds (distance) C4'-P energy: -58.193 bonds (distance) P-C4' energy: -72.154 flat angles C4'-P-C4' energy: -37.194 flat angles P-C4'-P energy: -37.138 tors. eta vs tors. theta energy: 7.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1174.823608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.823608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.823608 (E_RNA) where: Base-Base interactions energy: -775.124 where: short stacking energy: -393.268 Base-Backbone interact. energy: 0.079 local terms energy: -399.778042 where: bonds (distance) C4'-P energy: -71.426 bonds (distance) P-C4' energy: -73.907 flat angles C4'-P-C4' energy: -78.799 flat angles P-C4'-P energy: -54.323 tors. eta vs tors. theta energy: -121.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1109.588693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.588693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.588693 (E_RNA) where: Base-Base interactions energy: -751.751 where: short stacking energy: -351.126 Base-Backbone interact. energy: -0.059 local terms energy: -357.778238 where: bonds (distance) C4'-P energy: -62.714 bonds (distance) P-C4' energy: -66.726 flat angles C4'-P-C4' energy: -81.210 flat angles P-C4'-P energy: -56.441 tors. eta vs tors. theta energy: -90.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1096.468544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.468544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.468544 (E_RNA) where: Base-Base interactions energy: -708.229 where: short stacking energy: -347.079 Base-Backbone interact. energy: -0.722 local terms energy: -387.518117 where: bonds (distance) C4'-P energy: -72.562 bonds (distance) P-C4' energy: -69.589 flat angles C4'-P-C4' energy: -87.130 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -105.272 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: 4, replica: 4 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -983.407300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.407300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.407300 (E_RNA) where: Base-Base interactions energy: -651.552 where: short stacking energy: -292.257 Base-Backbone interact. energy: 0.856 local terms energy: -332.710897 where: bonds (distance) C4'-P energy: -65.547 bonds (distance) P-C4' energy: -64.615 flat angles C4'-P-C4' energy: -67.058 flat angles P-C4'-P energy: -57.157 tors. eta vs tors. theta energy: -78.334 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: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -949.412659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.412659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.412659 (E_RNA) where: Base-Base interactions energy: -632.819 where: short stacking energy: -292.630 Base-Backbone interact. energy: -1.108 local terms energy: -315.486199 where: bonds (distance) C4'-P energy: -64.057 bonds (distance) P-C4' energy: -62.614 flat angles C4'-P-C4' energy: -69.734 flat angles P-C4'-P energy: -34.695 tors. eta vs tors. theta energy: -84.386 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: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -821.122492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.122492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.122492 (E_RNA) where: Base-Base interactions energy: -509.140 where: short stacking energy: -244.543 Base-Backbone interact. energy: -1.438 local terms energy: -310.544406 where: bonds (distance) C4'-P energy: -70.268 bonds (distance) P-C4' energy: -59.519 flat angles C4'-P-C4' energy: -75.713 flat angles P-C4'-P energy: -43.218 tors. eta vs tors. theta energy: -61.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -736.121592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.121592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.121592 (E_RNA) where: Base-Base interactions energy: -465.379 where: short stacking energy: -219.332 Base-Backbone interact. energy: -2.319 local terms energy: -268.423567 where: bonds (distance) C4'-P energy: -56.450 bonds (distance) P-C4' energy: -60.512 flat angles C4'-P-C4' energy: -60.737 flat angles P-C4'-P energy: -42.000 tors. eta vs tors. theta energy: -48.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -559.399386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.399386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.399386 (E_RNA) where: Base-Base interactions energy: -330.457 where: short stacking energy: -155.419 Base-Backbone interact. energy: 2.253 local terms energy: -231.195162 where: bonds (distance) C4'-P energy: -62.944 bonds (distance) P-C4' energy: -52.878 flat angles C4'-P-C4' energy: -57.771 flat angles P-C4'-P energy: -34.551 tors. eta vs tors. theta energy: -23.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -488.967046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.967046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.967046 (E_RNA) where: Base-Base interactions energy: -281.137 where: short stacking energy: -153.067 Base-Backbone interact. energy: 1.547 local terms energy: -209.377296 where: bonds (distance) C4'-P energy: -60.720 bonds (distance) P-C4' energy: -52.091 flat angles C4'-P-C4' energy: -55.903 flat angles P-C4'-P energy: -23.246 tors. eta vs tors. theta energy: -17.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -344.236712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.236712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.236712 (E_RNA) where: Base-Base interactions energy: -154.673 where: short stacking energy: -83.825 Base-Backbone interact. energy: -1.612 local terms energy: -187.951478 where: bonds (distance) C4'-P energy: -66.087 bonds (distance) P-C4' energy: -50.914 flat angles C4'-P-C4' energy: -46.955 flat angles P-C4'-P energy: -29.181 tors. eta vs tors. theta energy: 5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1171.783247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.783247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.783247 (E_RNA) where: Base-Base interactions energy: -769.298 where: short stacking energy: -379.251 Base-Backbone interact. energy: -1.052 local terms energy: -401.432739 where: bonds (distance) C4'-P energy: -74.800 bonds (distance) P-C4' energy: -71.414 flat angles C4'-P-C4' energy: -81.884 flat angles P-C4'-P energy: -53.991 tors. eta vs tors. theta energy: -119.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1066.816473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.816473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.816473 (E_RNA) where: Base-Base interactions energy: -718.146 where: short stacking energy: -355.935 Base-Backbone interact. energy: 0.396 local terms energy: -349.067274 where: bonds (distance) C4'-P energy: -59.968 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -81.015 flat angles P-C4'-P energy: -49.539 tors. eta vs tors. theta energy: -93.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1082.439117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.439117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.439117 (E_RNA) where: Base-Base interactions energy: -717.473 where: short stacking energy: -341.501 Base-Backbone interact. energy: 0.166 local terms energy: -365.132025 where: bonds (distance) C4'-P energy: -75.406 bonds (distance) P-C4' energy: -58.438 flat angles C4'-P-C4' energy: -77.077 flat angles P-C4'-P energy: -53.641 tors. eta vs tors. theta energy: -100.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -992.000974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.000974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.000974 (E_RNA) where: Base-Base interactions energy: -674.881 where: short stacking energy: -305.890 Base-Backbone interact. energy: 2.953 local terms energy: -320.073129 where: bonds (distance) C4'-P energy: -55.514 bonds (distance) P-C4' energy: -46.547 flat angles C4'-P-C4' energy: -71.510 flat angles P-C4'-P energy: -61.825 tors. eta vs tors. theta energy: -84.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -948.471060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.471060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.471060 (E_RNA) where: Base-Base interactions energy: -620.049 where: short stacking energy: -281.467 Base-Backbone interact. energy: -2.066 local terms energy: -326.356062 where: bonds (distance) C4'-P energy: -67.922 bonds (distance) P-C4' energy: -69.616 flat angles C4'-P-C4' energy: -74.094 flat angles P-C4'-P energy: -42.039 tors. eta vs tors. theta energy: -72.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -808.818996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.818996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.818996 (E_RNA) where: Base-Base interactions energy: -534.702 where: short stacking energy: -239.122 Base-Backbone interact. energy: -1.512 local terms energy: -272.604973 where: bonds (distance) C4'-P energy: -46.952 bonds (distance) P-C4' energy: -63.911 flat angles C4'-P-C4' energy: -67.551 flat angles P-C4'-P energy: -32.246 tors. eta vs tors. theta energy: -61.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -732.623442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.623442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.623442 (E_RNA) where: Base-Base interactions energy: -468.584 where: short stacking energy: -232.918 Base-Backbone interact. energy: -2.686 local terms energy: -261.353750 where: bonds (distance) C4'-P energy: -54.680 bonds (distance) P-C4' energy: -72.878 flat angles C4'-P-C4' energy: -51.561 flat angles P-C4'-P energy: -30.821 tors. eta vs tors. theta energy: -51.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -587.788140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.788140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.788140 (E_RNA) where: Base-Base interactions energy: -365.876 where: short stacking energy: -173.214 Base-Backbone interact. energy: -0.983 local terms energy: -220.929003 where: bonds (distance) C4'-P energy: -52.952 bonds (distance) P-C4' energy: -59.510 flat angles C4'-P-C4' energy: -61.977 flat angles P-C4'-P energy: -23.001 tors. eta vs tors. theta energy: -23.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -601.057054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.057054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.057054 (E_RNA) where: Base-Base interactions energy: -367.125 where: short stacking energy: -184.193 Base-Backbone interact. energy: 0.845 local terms energy: -234.776297 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -64.025 flat angles C4'-P-C4' energy: -62.104 flat angles P-C4'-P energy: -30.704 tors. eta vs tors. theta energy: -20.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -334.089309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.089309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.089309 (E_RNA) where: Base-Base interactions energy: -140.890 where: short stacking energy: -102.934 Base-Backbone interact. energy: -1.500 local terms energy: -191.699098 where: bonds (distance) C4'-P energy: -43.983 bonds (distance) P-C4' energy: -55.051 flat angles C4'-P-C4' energy: -63.270 flat angles P-C4'-P energy: -27.918 tors. eta vs tors. theta energy: -1.477 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: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1162.191610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.191610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.191610 (E_RNA) where: Base-Base interactions energy: -771.142 where: short stacking energy: -385.913 Base-Backbone interact. energy: -1.569 local terms energy: -389.480256 where: bonds (distance) C4'-P energy: -63.783 bonds (distance) P-C4' energy: -73.717 flat angles C4'-P-C4' energy: -77.425 flat angles P-C4'-P energy: -61.092 tors. eta vs tors. theta energy: -113.463 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: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1117.940575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.940575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.940575 (E_RNA) where: Base-Base interactions energy: -752.069 where: short stacking energy: -363.937 Base-Backbone interact. energy: -0.936 local terms energy: -364.935105 where: bonds (distance) C4'-P energy: -65.398 bonds (distance) P-C4' energy: -62.443 flat angles C4'-P-C4' energy: -72.144 flat angles P-C4'-P energy: -55.946 tors. eta vs tors. theta energy: -109.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1045.968712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.968712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.968712 (E_RNA) where: Base-Base interactions energy: -699.207 where: short stacking energy: -327.057 Base-Backbone interact. energy: -2.757 local terms energy: -344.004066 where: bonds (distance) C4'-P energy: -61.711 bonds (distance) P-C4' energy: -71.932 flat angles C4'-P-C4' energy: -66.854 flat angles P-C4'-P energy: -50.390 tors. eta vs tors. theta energy: -93.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -981.980846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.980846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.980846 (E_RNA) where: Base-Base interactions energy: -650.362 where: short stacking energy: -293.019 Base-Backbone interact. energy: -0.869 local terms energy: -330.749157 where: bonds (distance) C4'-P energy: -59.409 bonds (distance) P-C4' energy: -75.568 flat angles C4'-P-C4' energy: -67.493 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: -79.369 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: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -940.427151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.427151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.427151 (E_RNA) where: Base-Base interactions energy: -612.186 where: short stacking energy: -284.739 Base-Backbone interact. energy: 0.063 local terms energy: -328.304022 where: bonds (distance) C4'-P energy: -66.053 bonds (distance) P-C4' energy: -59.748 flat angles C4'-P-C4' energy: -79.322 flat angles P-C4'-P energy: -44.994 tors. eta vs tors. theta energy: -78.186 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: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -802.557597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.557597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.557597 (E_RNA) where: Base-Base interactions energy: -527.938 where: short stacking energy: -265.689 Base-Backbone interact. energy: -0.816 local terms energy: -273.803309 where: bonds (distance) C4'-P energy: -51.221 bonds (distance) P-C4' energy: -55.082 flat angles C4'-P-C4' energy: -73.780 flat angles P-C4'-P energy: -35.446 tors. eta vs tors. theta energy: -58.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -731.865664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.865664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.865664 (E_RNA) where: Base-Base interactions energy: -440.285 where: short stacking energy: -206.019 Base-Backbone interact. energy: -1.947 local terms energy: -289.633558 where: bonds (distance) C4'-P energy: -56.644 bonds (distance) P-C4' energy: -65.329 flat angles C4'-P-C4' energy: -65.307 flat angles P-C4'-P energy: -47.588 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: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -651.798414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.798414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.798414 (E_RNA) where: Base-Base interactions energy: -399.865 where: short stacking energy: -194.184 Base-Backbone interact. energy: 1.387 local terms energy: -253.320866 where: bonds (distance) C4'-P energy: -61.869 bonds (distance) P-C4' energy: -64.381 flat angles C4'-P-C4' energy: -61.331 flat angles P-C4'-P energy: -31.202 tors. eta vs tors. theta energy: -34.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -546.729021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.729021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.729021 (E_RNA) where: Base-Base interactions energy: -326.395 where: short stacking energy: -151.713 Base-Backbone interact. energy: -0.841 local terms energy: -219.493303 where: bonds (distance) C4'-P energy: -57.897 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -46.076 flat angles P-C4'-P energy: -22.405 tors. eta vs tors. theta energy: -25.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -306.732853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.732853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.732853 (E_RNA) where: Base-Base interactions energy: -122.248 where: short stacking energy: -108.969 Base-Backbone interact. energy: -1.953 local terms energy: -182.532001 where: bonds (distance) C4'-P energy: -53.377 bonds (distance) P-C4' energy: -49.291 flat angles C4'-P-C4' energy: -41.826 flat angles P-C4'-P energy: -29.254 tors. eta vs tors. theta energy: -8.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1160.637060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.637060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.637060 (E_RNA) where: Base-Base interactions energy: -778.176 where: short stacking energy: -372.558 Base-Backbone interact. energy: -0.240 local terms energy: -382.220394 where: bonds (distance) C4'-P energy: -74.314 bonds (distance) P-C4' energy: -66.428 flat angles C4'-P-C4' energy: -75.786 flat angles P-C4'-P energy: -52.934 tors. eta vs tors. theta energy: -112.758 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: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1129.523111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.523111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.523111 (E_RNA) where: Base-Base interactions energy: -735.934 where: short stacking energy: -371.543 Base-Backbone interact. energy: -1.642 local terms energy: -391.947959 where: bonds (distance) C4'-P energy: -67.631 bonds (distance) P-C4' energy: -72.791 flat angles C4'-P-C4' energy: -77.357 flat angles P-C4'-P energy: -62.987 tors. eta vs tors. theta energy: -111.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1055.855710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.855710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.855710 (E_RNA) where: Base-Base interactions energy: -721.081 where: short stacking energy: -330.052 Base-Backbone interact. energy: 3.016 local terms energy: -337.790967 where: bonds (distance) C4'-P energy: -71.618 bonds (distance) P-C4' energy: -59.535 flat angles C4'-P-C4' energy: -72.626 flat angles P-C4'-P energy: -44.507 tors. eta vs tors. theta energy: -89.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -987.644573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.644573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.644573 (E_RNA) where: Base-Base interactions energy: -681.850 where: short stacking energy: -316.104 Base-Backbone interact. energy: -0.779 local terms energy: -305.015599 where: bonds (distance) C4'-P energy: -54.812 bonds (distance) P-C4' energy: -61.791 flat angles C4'-P-C4' energy: -69.198 flat angles P-C4'-P energy: -35.572 tors. eta vs tors. theta energy: -83.642 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: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -943.958709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.958709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.958709 (E_RNA) where: Base-Base interactions energy: -619.703 where: short stacking energy: -295.874 Base-Backbone interact. energy: -1.496 local terms energy: -322.760038 where: bonds (distance) C4'-P energy: -65.117 bonds (distance) P-C4' energy: -57.160 flat angles C4'-P-C4' energy: -71.667 flat angles P-C4'-P energy: -44.431 tors. eta vs tors. theta energy: -84.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -783.153514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.153514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.153514 (E_RNA) where: Base-Base interactions energy: -493.894 where: short stacking energy: -233.203 Base-Backbone interact. energy: -0.960 local terms energy: -288.300262 where: bonds (distance) C4'-P energy: -63.176 bonds (distance) P-C4' energy: -56.765 flat angles C4'-P-C4' energy: -69.490 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: -57.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -735.196651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.196651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.196651 (E_RNA) where: Base-Base interactions energy: -471.547 where: short stacking energy: -248.121 Base-Backbone interact. energy: 6.070 local terms energy: -269.719022 where: bonds (distance) C4'-P energy: -62.320 bonds (distance) P-C4' energy: -51.553 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -34.819 tors. eta vs tors. theta energy: -57.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -594.112522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.112522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.112522 (E_RNA) where: Base-Base interactions energy: -360.188 where: short stacking energy: -184.403 Base-Backbone interact. energy: -2.004 local terms energy: -231.920269 where: bonds (distance) C4'-P energy: -60.555 bonds (distance) P-C4' energy: -65.234 flat angles C4'-P-C4' energy: -50.513 flat angles P-C4'-P energy: -26.299 tors. eta vs tors. theta energy: -29.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -597.782020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.782020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.782020 (E_RNA) where: Base-Base interactions energy: -348.188 where: short stacking energy: -160.599 Base-Backbone interact. energy: -0.790 local terms energy: -248.803478 where: bonds (distance) C4'-P energy: -63.474 bonds (distance) P-C4' energy: -60.111 flat angles C4'-P-C4' energy: -54.553 flat angles P-C4'-P energy: -31.311 tors. eta vs tors. theta energy: -39.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -282.081895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.081895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.081895 (E_RNA) where: Base-Base interactions energy: -83.872 where: short stacking energy: -82.514 Base-Backbone interact. energy: 2.115 local terms energy: -200.325506 where: bonds (distance) C4'-P energy: -65.226 bonds (distance) P-C4' energy: -64.078 flat angles C4'-P-C4' energy: -50.552 flat angles P-C4'-P energy: -16.701 tors. eta vs tors. theta energy: -3.768 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: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1179.879676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.879676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.879676 (E_RNA) where: Base-Base interactions energy: -790.641 where: short stacking energy: -389.350 Base-Backbone interact. energy: 0.044 local terms energy: -389.282159 where: bonds (distance) C4'-P energy: -65.689 bonds (distance) P-C4' energy: -75.724 flat angles C4'-P-C4' energy: -80.178 flat angles P-C4'-P energy: -56.424 tors. eta vs tors. theta energy: -111.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1133.434622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.434622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.434622 (E_RNA) where: Base-Base interactions energy: -769.272 where: short stacking energy: -368.003 Base-Backbone interact. energy: -0.514 local terms energy: -363.648657 where: bonds (distance) C4'-P energy: -59.933 bonds (distance) P-C4' energy: -71.947 flat angles C4'-P-C4' energy: -75.787 flat angles P-C4'-P energy: -41.660 tors. eta vs tors. theta energy: -114.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1081.179936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.179936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.179936 (E_RNA) where: Base-Base interactions energy: -729.821 where: short stacking energy: -316.211 Base-Backbone interact. energy: -0.744 local terms energy: -350.614907 where: bonds (distance) C4'-P energy: -65.085 bonds (distance) P-C4' energy: -73.965 flat angles C4'-P-C4' energy: -77.416 flat angles P-C4'-P energy: -39.725 tors. eta vs tors. theta energy: -94.423 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: 4 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1000.099331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.099331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.099331 (E_RNA) where: Base-Base interactions energy: -672.901 where: short stacking energy: -300.973 Base-Backbone interact. energy: -0.714 local terms energy: -326.484085 where: bonds (distance) C4'-P energy: -65.836 bonds (distance) P-C4' energy: -60.515 flat angles C4'-P-C4' energy: -72.013 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -80.002 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: 453 Temperature: 1.100000 Total energy: -955.045321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.045321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.045321 (E_RNA) where: Base-Base interactions energy: -612.566 where: short stacking energy: -292.360 Base-Backbone interact. energy: -1.970 local terms energy: -340.510207 where: bonds (distance) C4'-P energy: -58.665 bonds (distance) P-C4' energy: -67.025 flat angles C4'-P-C4' energy: -73.327 flat angles P-C4'-P energy: -53.888 tors. eta vs tors. theta energy: -87.606 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: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -792.442432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.442432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.442432 (E_RNA) where: Base-Base interactions energy: -509.182 where: short stacking energy: -248.335 Base-Backbone interact. energy: -0.913 local terms energy: -282.347191 where: bonds (distance) C4'-P energy: -59.355 bonds (distance) P-C4' energy: -54.418 flat angles C4'-P-C4' energy: -72.805 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: -57.361 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: 8 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -764.666829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.666829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.666829 (E_RNA) where: Base-Base interactions energy: -493.459 where: short stacking energy: -236.607 Base-Backbone interact. energy: 1.708 local terms energy: -272.915626 where: bonds (distance) C4'-P energy: -63.248 bonds (distance) P-C4' energy: -58.830 flat angles C4'-P-C4' energy: -74.380 flat angles P-C4'-P energy: -29.090 tors. eta vs tors. theta energy: -47.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -570.209730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.209730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.209730 (E_RNA) where: Base-Base interactions energy: -351.860 where: short stacking energy: -169.183 Base-Backbone interact. energy: -1.966 local terms energy: -216.383479 where: bonds (distance) C4'-P energy: -69.003 bonds (distance) P-C4' energy: -63.785 flat angles C4'-P-C4' energy: -53.079 flat angles P-C4'-P energy: -27.143 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -555.608619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.608619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.608619 (E_RNA) where: Base-Base interactions energy: -325.148 where: short stacking energy: -153.829 Base-Backbone interact. energy: -2.834 local terms energy: -227.627070 where: bonds (distance) C4'-P energy: -48.045 bonds (distance) P-C4' energy: -55.989 flat angles C4'-P-C4' energy: -67.999 flat angles P-C4'-P energy: -28.576 tors. eta vs tors. theta energy: -27.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -287.155968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.155968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.155968 (E_RNA) where: Base-Base interactions energy: -96.396 where: short stacking energy: -84.823 Base-Backbone interact. energy: -1.261 local terms energy: -189.498310 where: bonds (distance) C4'-P energy: -65.647 bonds (distance) P-C4' energy: -56.377 flat angles C4'-P-C4' energy: -33.925 flat angles P-C4'-P energy: -29.079 tors. eta vs tors. theta energy: -4.470 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: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1187.768900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.768900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.768900 (E_RNA) where: Base-Base interactions energy: -799.390 where: short stacking energy: -384.588 Base-Backbone interact. energy: -0.365 local terms energy: -388.013880 where: bonds (distance) C4'-P energy: -75.848 bonds (distance) P-C4' energy: -74.516 flat angles C4'-P-C4' energy: -73.038 flat angles P-C4'-P energy: -55.430 tors. eta vs tors. theta energy: -109.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1113.773722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.773722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.773722 (E_RNA) where: Base-Base interactions energy: -751.302 where: short stacking energy: -348.263 Base-Backbone interact. energy: 0.362 local terms energy: -362.834613 where: bonds (distance) C4'-P energy: -60.489 bonds (distance) P-C4' energy: -75.476 flat angles C4'-P-C4' energy: -73.071 flat angles P-C4'-P energy: -47.559 tors. eta vs tors. theta energy: -106.240 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: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1043.483176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.483176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.483176 (E_RNA) where: Base-Base interactions energy: -700.721 where: short stacking energy: -311.390 Base-Backbone interact. energy: -2.474 local terms energy: -340.287867 where: bonds (distance) C4'-P energy: -67.784 bonds (distance) P-C4' energy: -72.189 flat angles C4'-P-C4' energy: -72.571 flat angles P-C4'-P energy: -46.705 tors. eta vs tors. theta energy: -81.039 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: 1 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1023.289753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.289753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.289753 (E_RNA) where: Base-Base interactions energy: -693.023 where: short stacking energy: -328.643 Base-Backbone interact. energy: 0.392 local terms energy: -330.658978 where: bonds (distance) C4'-P energy: -60.722 bonds (distance) P-C4' energy: -69.994 flat angles C4'-P-C4' energy: -67.498 flat angles P-C4'-P energy: -46.654 tors. eta vs tors. theta energy: -85.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -940.760663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.760663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.760663 (E_RNA) where: Base-Base interactions energy: -614.507 where: short stacking energy: -280.629 Base-Backbone interact. energy: -0.473 local terms energy: -325.781072 where: bonds (distance) C4'-P energy: -68.022 bonds (distance) P-C4' energy: -65.683 flat angles C4'-P-C4' energy: -76.538 flat angles P-C4'-P energy: -44.311 tors. eta vs tors. theta energy: -71.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -836.246097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.246097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.246097 (E_RNA) where: Base-Base interactions energy: -525.854 where: short stacking energy: -277.001 Base-Backbone interact. energy: -0.130 local terms energy: -310.262356 where: bonds (distance) C4'-P energy: -66.761 bonds (distance) P-C4' energy: -59.295 flat angles C4'-P-C4' energy: -70.998 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: -75.261 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: 7, replica: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -779.841477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.841477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.841477 (E_RNA) where: Base-Base interactions energy: -500.930 where: short stacking energy: -227.738 Base-Backbone interact. energy: -0.653 local terms energy: -278.258506 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -64.699 flat angles C4'-P-C4' energy: -55.426 flat angles P-C4'-P energy: -38.197 tors. eta vs tors. theta energy: -55.686 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: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -618.393509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.393509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.393509 (E_RNA) where: Base-Base interactions energy: -385.047 where: short stacking energy: -204.037 Base-Backbone interact. energy: 3.490 local terms energy: -236.835634 where: bonds (distance) C4'-P energy: -46.511 bonds (distance) P-C4' energy: -59.949 flat angles C4'-P-C4' energy: -55.148 flat angles P-C4'-P energy: -39.083 tors. eta vs tors. theta energy: -36.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -556.947409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.947409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.947409 (E_RNA) where: Base-Base interactions energy: -321.883 where: short stacking energy: -154.074 Base-Backbone interact. energy: -1.755 local terms energy: -233.309543 where: bonds (distance) C4'-P energy: -59.392 bonds (distance) P-C4' energy: -50.074 flat angles C4'-P-C4' energy: -49.313 flat angles P-C4'-P energy: -43.219 tors. eta vs tors. theta energy: -31.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -297.358245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.358245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.358245 (E_RNA) where: Base-Base interactions energy: -99.958 where: short stacking energy: -89.117 Base-Backbone interact. energy: 0.625 local terms energy: -198.025260 where: bonds (distance) C4'-P energy: -54.999 bonds (distance) P-C4' energy: -57.480 flat angles C4'-P-C4' energy: -58.948 flat angles P-C4'-P energy: -25.880 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1167.040365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.040365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.040365 (E_RNA) where: Base-Base interactions energy: -789.795 where: short stacking energy: -374.239 Base-Backbone interact. energy: -1.509 local terms energy: -375.736013 where: bonds (distance) C4'-P energy: -55.699 bonds (distance) P-C4' energy: -73.515 flat angles C4'-P-C4' energy: -77.137 flat angles P-C4'-P energy: -54.516 tors. eta vs tors. theta energy: -114.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1144.565940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.565940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.565940 (E_RNA) where: Base-Base interactions energy: -763.891 where: short stacking energy: -368.007 Base-Backbone interact. energy: -0.291 local terms energy: -380.383941 where: bonds (distance) C4'-P energy: -75.689 bonds (distance) P-C4' energy: -65.564 flat angles C4'-P-C4' energy: -77.193 flat angles P-C4'-P energy: -51.963 tors. eta vs tors. theta energy: -109.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1044.496925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.496925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.496925 (E_RNA) where: Base-Base interactions energy: -699.374 where: short stacking energy: -327.470 Base-Backbone interact. energy: -2.081 local terms energy: -343.041583 where: bonds (distance) C4'-P energy: -65.956 bonds (distance) P-C4' energy: -56.816 flat angles C4'-P-C4' energy: -84.226 flat angles P-C4'-P energy: -39.535 tors. eta vs tors. theta energy: -96.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1020.200984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.200984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.200984 (E_RNA) where: Base-Base interactions energy: -676.030 where: short stacking energy: -309.792 Base-Backbone interact. energy: -0.012 local terms energy: -344.158653 where: bonds (distance) C4'-P energy: -69.602 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -80.233 flat angles P-C4'-P energy: -43.918 tors. eta vs tors. theta energy: -90.194 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: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -898.523422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.523422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.523422 (E_RNA) where: Base-Base interactions energy: -596.223 where: short stacking energy: -281.549 Base-Backbone interact. energy: -1.048 local terms energy: -301.252225 where: bonds (distance) C4'-P energy: -52.929 bonds (distance) P-C4' energy: -68.017 flat angles C4'-P-C4' energy: -62.106 flat angles P-C4'-P energy: -48.000 tors. eta vs tors. theta energy: -70.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -779.613232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.613232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.613232 (E_RNA) where: Base-Base interactions energy: -510.802 where: short stacking energy: -245.149 Base-Backbone interact. energy: -0.886 local terms energy: -267.925038 where: bonds (distance) C4'-P energy: -47.850 bonds (distance) P-C4' energy: -56.941 flat angles C4'-P-C4' energy: -65.021 flat angles P-C4'-P energy: -47.413 tors. eta vs tors. theta energy: -50.700 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: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -778.218554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.218554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.218554 (E_RNA) where: Base-Base interactions energy: -492.854 where: short stacking energy: -248.352 Base-Backbone interact. energy: -0.029 local terms energy: -285.336218 where: bonds (distance) C4'-P energy: -61.710 bonds (distance) P-C4' energy: -68.468 flat angles C4'-P-C4' energy: -61.637 flat angles P-C4'-P energy: -35.219 tors. eta vs tors. theta energy: -58.302 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: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -589.941879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.941879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.941879 (E_RNA) where: Base-Base interactions energy: -364.056 where: short stacking energy: -163.384 Base-Backbone interact. energy: -0.562 local terms energy: -225.324009 where: bonds (distance) C4'-P energy: -55.878 bonds (distance) P-C4' energy: -65.655 flat angles C4'-P-C4' energy: -57.228 flat angles P-C4'-P energy: -28.278 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: 9, replica: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -574.938496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.938496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.938496 (E_RNA) where: Base-Base interactions energy: -346.682 where: short stacking energy: -175.766 Base-Backbone interact. energy: -0.936 local terms energy: -227.320268 where: bonds (distance) C4'-P energy: -57.550 bonds (distance) P-C4' energy: -58.448 flat angles C4'-P-C4' energy: -58.444 flat angles P-C4'-P energy: -26.917 tors. eta vs tors. theta energy: -25.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -312.894352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.894352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.894352 (E_RNA) where: Base-Base interactions energy: -122.914 where: short stacking energy: -88.828 Base-Backbone interact. energy: -1.270 local terms energy: -188.710357 where: bonds (distance) C4'-P energy: -68.849 bonds (distance) P-C4' energy: -53.474 flat angles C4'-P-C4' energy: -52.323 flat angles P-C4'-P energy: -24.187 tors. eta vs tors. theta energy: 10.122 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: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1168.379336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.379336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.379336 (E_RNA) where: Base-Base interactions energy: -778.235 where: short stacking energy: -377.960 Base-Backbone interact. energy: -1.732 local terms energy: -388.411976 where: bonds (distance) C4'-P energy: -73.396 bonds (distance) P-C4' energy: -70.659 flat angles C4'-P-C4' energy: -79.852 flat angles P-C4'-P energy: -59.539 tors. eta vs tors. theta energy: -104.966 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: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1149.470719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.470719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.470719 (E_RNA) where: Base-Base interactions energy: -766.770 where: short stacking energy: -375.946 Base-Backbone interact. energy: -0.861 local terms energy: -381.838936 where: bonds (distance) C4'-P energy: -71.790 bonds (distance) P-C4' energy: -63.676 flat angles C4'-P-C4' energy: -79.303 flat angles P-C4'-P energy: -57.554 tors. eta vs tors. theta energy: -109.516 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: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1029.810597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.810597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.810597 (E_RNA) where: Base-Base interactions energy: -707.749 where: short stacking energy: -321.432 Base-Backbone interact. energy: -0.640 local terms energy: -321.421822 where: bonds (distance) C4'-P energy: -42.628 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -76.123 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -87.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1004.111987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.111987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.111987 (E_RNA) where: Base-Base interactions energy: -676.701 where: short stacking energy: -313.261 Base-Backbone interact. energy: 0.420 local terms energy: -327.830709 where: bonds (distance) C4'-P energy: -53.422 bonds (distance) P-C4' energy: -80.504 flat angles C4'-P-C4' energy: -73.184 flat angles P-C4'-P energy: -37.483 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: 5, replica: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -908.235354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.235354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.235354 (E_RNA) where: Base-Base interactions energy: -594.345 where: short stacking energy: -286.772 Base-Backbone interact. energy: -0.438 local terms energy: -313.452417 where: bonds (distance) C4'-P energy: -57.101 bonds (distance) P-C4' energy: -49.137 flat angles C4'-P-C4' energy: -74.147 flat angles P-C4'-P energy: -56.066 tors. eta vs tors. theta energy: -77.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -810.447307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.447307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.447307 (E_RNA) where: Base-Base interactions energy: -519.060 where: short stacking energy: -252.563 Base-Backbone interact. energy: -0.239 local terms energy: -291.147447 where: bonds (distance) C4'-P energy: -65.978 bonds (distance) P-C4' energy: -64.419 flat angles C4'-P-C4' energy: -64.884 flat angles P-C4'-P energy: -30.137 tors. eta vs tors. theta energy: -65.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -753.466391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.466391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.466391 (E_RNA) where: Base-Base interactions energy: -461.791 where: short stacking energy: -240.689 Base-Backbone interact. energy: 0.918 local terms energy: -292.593515 where: bonds (distance) C4'-P energy: -64.039 bonds (distance) P-C4' energy: -77.150 flat angles C4'-P-C4' energy: -56.292 flat angles P-C4'-P energy: -27.446 tors. eta vs tors. theta energy: -67.667 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: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -623.651306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.651306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.651306 (E_RNA) where: Base-Base interactions energy: -386.772 where: short stacking energy: -181.209 Base-Backbone interact. energy: -1.369 local terms energy: -235.510247 where: bonds (distance) C4'-P energy: -58.734 bonds (distance) P-C4' energy: -57.431 flat angles C4'-P-C4' energy: -57.230 flat angles P-C4'-P energy: -32.184 tors. eta vs tors. theta energy: -29.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -590.773809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.773809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.773809 (E_RNA) where: Base-Base interactions energy: -366.064 where: short stacking energy: -190.847 Base-Backbone interact. energy: 0.535 local terms energy: -225.245006 where: bonds (distance) C4'-P energy: -56.073 bonds (distance) P-C4' energy: -56.323 flat angles C4'-P-C4' energy: -44.348 flat angles P-C4'-P energy: -40.185 tors. eta vs tors. theta energy: -28.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -281.783368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.783368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.783368 (E_RNA) where: Base-Base interactions energy: -80.230 where: short stacking energy: -72.175 Base-Backbone interact. energy: -0.259 local terms energy: -201.294047 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -52.704 flat angles C4'-P-C4' energy: -62.071 flat angles P-C4'-P energy: -25.661 tors. eta vs tors. theta energy: 2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1165.720149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.720149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.720149 (E_RNA) where: Base-Base interactions energy: -787.189 where: short stacking energy: -363.914 Base-Backbone interact. energy: -1.191 local terms energy: -377.340228 where: bonds (distance) C4'-P energy: -63.206 bonds (distance) P-C4' energy: -70.164 flat angles C4'-P-C4' energy: -77.815 flat angles P-C4'-P energy: -54.031 tors. eta vs tors. theta energy: -112.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1146.520928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.520928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.520928 (E_RNA) where: Base-Base interactions energy: -775.007 where: short stacking energy: -369.041 Base-Backbone interact. energy: -0.638 local terms energy: -370.875885 where: bonds (distance) C4'-P energy: -64.187 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -82.350 flat angles P-C4'-P energy: -49.003 tors. eta vs tors. theta energy: -108.889 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: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1068.873593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.873593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.873593 (E_RNA) where: Base-Base interactions energy: -706.257 where: short stacking energy: -311.240 Base-Backbone interact. energy: -0.925 local terms energy: -361.691846 where: bonds (distance) C4'-P energy: -71.152 bonds (distance) P-C4' energy: -72.684 flat angles C4'-P-C4' energy: -72.666 flat angles P-C4'-P energy: -45.259 tors. eta vs tors. theta energy: -99.931 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: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -993.679303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.679303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.679303 (E_RNA) where: Base-Base interactions energy: -647.970 where: short stacking energy: -309.068 Base-Backbone interact. energy: 1.566 local terms energy: -347.274647 where: bonds (distance) C4'-P energy: -67.212 bonds (distance) P-C4' energy: -63.826 flat angles C4'-P-C4' energy: -75.339 flat angles P-C4'-P energy: -54.630 tors. eta vs tors. theta energy: -86.268 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: 5, replica: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -911.982043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.982043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.982043 (E_RNA) where: Base-Base interactions energy: -611.412 where: short stacking energy: -282.789 Base-Backbone interact. energy: -1.588 local terms energy: -298.981573 where: bonds (distance) C4'-P energy: -52.264 bonds (distance) P-C4' energy: -60.930 flat angles C4'-P-C4' energy: -67.641 flat angles P-C4'-P energy: -38.417 tors. eta vs tors. theta energy: -79.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -785.748878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.748878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.748878 (E_RNA) where: Base-Base interactions energy: -493.261 where: short stacking energy: -240.805 Base-Backbone interact. energy: 0.713 local terms energy: -293.201081 where: bonds (distance) C4'-P energy: -62.199 bonds (distance) P-C4' energy: -62.029 flat angles C4'-P-C4' energy: -65.474 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -59.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -726.617489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.617489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.617489 (E_RNA) where: Base-Base interactions energy: -448.574 where: short stacking energy: -212.766 Base-Backbone interact. energy: 1.370 local terms energy: -279.414228 where: bonds (distance) C4'-P energy: -61.312 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -65.433 flat angles P-C4'-P energy: -36.117 tors. eta vs tors. theta energy: -53.704 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: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -635.380206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.380206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.380206 (E_RNA) where: Base-Base interactions energy: -407.354 where: short stacking energy: -206.440 Base-Backbone interact. energy: 1.400 local terms energy: -229.426329 where: bonds (distance) C4'-P energy: -55.835 bonds (distance) P-C4' energy: -46.755 flat angles C4'-P-C4' energy: -61.817 flat angles P-C4'-P energy: -25.604 tors. eta vs tors. theta energy: -39.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -509.756131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.756131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.756131 (E_RNA) where: Base-Base interactions energy: -281.492 where: short stacking energy: -139.560 Base-Backbone interact. energy: 0.018 local terms energy: -228.282240 where: bonds (distance) C4'-P energy: -68.019 bonds (distance) P-C4' energy: -61.235 flat angles C4'-P-C4' energy: -45.533 flat angles P-C4'-P energy: -47.303 tors. eta vs tors. theta energy: -6.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -309.516245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.516245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.516245 (E_RNA) where: Base-Base interactions energy: -106.934 where: short stacking energy: -84.133 Base-Backbone interact. energy: -0.322 local terms energy: -202.260471 where: bonds (distance) C4'-P energy: -66.342 bonds (distance) P-C4' energy: -52.352 flat angles C4'-P-C4' energy: -49.822 flat angles P-C4'-P energy: -31.318 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1146.774276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.774276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.774276 (E_RNA) where: Base-Base interactions energy: -752.332 where: short stacking energy: -367.499 Base-Backbone interact. energy: -1.142 local terms energy: -393.300384 where: bonds (distance) C4'-P energy: -72.272 bonds (distance) P-C4' energy: -78.432 flat angles C4'-P-C4' energy: -81.556 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -108.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1143.390083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.390083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.390083 (E_RNA) where: Base-Base interactions energy: -773.286 where: short stacking energy: -369.299 Base-Backbone interact. energy: -1.441 local terms energy: -368.663188 where: bonds (distance) C4'-P energy: -61.450 bonds (distance) P-C4' energy: -65.194 flat angles C4'-P-C4' energy: -80.701 flat angles P-C4'-P energy: -50.691 tors. eta vs tors. theta energy: -110.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1015.988846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.988846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.988846 (E_RNA) where: Base-Base interactions energy: -687.132 where: short stacking energy: -329.989 Base-Backbone interact. energy: 2.586 local terms energy: -331.442579 where: bonds (distance) C4'-P energy: -65.909 bonds (distance) P-C4' energy: -66.785 flat angles C4'-P-C4' energy: -67.880 flat angles P-C4'-P energy: -46.703 tors. eta vs tors. theta energy: -84.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1028.783385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.783385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.783385 (E_RNA) where: Base-Base interactions energy: -688.410 where: short stacking energy: -306.501 Base-Backbone interact. energy: 1.360 local terms energy: -341.733611 where: bonds (distance) C4'-P energy: -54.735 bonds (distance) P-C4' energy: -66.621 flat angles C4'-P-C4' energy: -75.055 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -89.271 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: 458 Temperature: 1.100000 Total energy: -964.981731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.981731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.981731 (E_RNA) where: Base-Base interactions energy: -652.837 where: short stacking energy: -295.976 Base-Backbone interact. energy: -0.521 local terms energy: -311.623571 where: bonds (distance) C4'-P energy: -48.363 bonds (distance) P-C4' energy: -71.552 flat angles C4'-P-C4' energy: -60.763 flat angles P-C4'-P energy: -47.136 tors. eta vs tors. theta energy: -83.810 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: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -794.326308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.326308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.326308 (E_RNA) where: Base-Base interactions energy: -515.382 where: short stacking energy: -236.237 Base-Backbone interact. energy: 0.391 local terms energy: -279.335334 where: bonds (distance) C4'-P energy: -55.832 bonds (distance) P-C4' energy: -60.406 flat angles C4'-P-C4' energy: -59.315 flat angles P-C4'-P energy: -35.944 tors. eta vs tors. theta energy: -67.838 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: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -774.685703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.685703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.685703 (E_RNA) where: Base-Base interactions energy: -493.416 where: short stacking energy: -240.081 Base-Backbone interact. energy: -0.673 local terms energy: -280.596510 where: bonds (distance) C4'-P energy: -60.542 bonds (distance) P-C4' energy: -54.223 flat angles C4'-P-C4' energy: -63.781 flat angles P-C4'-P energy: -37.631 tors. eta vs tors. theta energy: -64.420 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: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -582.225148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.225148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.225148 (E_RNA) where: Base-Base interactions energy: -343.195 where: short stacking energy: -171.603 Base-Backbone interact. energy: -1.108 local terms energy: -237.921873 where: bonds (distance) C4'-P energy: -48.819 bonds (distance) P-C4' energy: -73.169 flat angles C4'-P-C4' energy: -51.052 flat angles P-C4'-P energy: -41.626 tors. eta vs tors. theta energy: -23.256 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: 9, replica: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -480.916524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.916524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.916524 (E_RNA) where: Base-Base interactions energy: -276.153 where: short stacking energy: -138.765 Base-Backbone interact. energy: -2.252 local terms energy: -202.510934 where: bonds (distance) C4'-P energy: -63.313 bonds (distance) P-C4' energy: -45.963 flat angles C4'-P-C4' energy: -54.318 flat angles P-C4'-P energy: -34.891 tors. eta vs tors. theta energy: -4.025 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: 458 Temperature: 1.350000 Total energy: -296.900805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.900805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.900805 (E_RNA) where: Base-Base interactions energy: -100.663 where: short stacking energy: -86.481 Base-Backbone interact. energy: -0.547 local terms energy: -195.690950 where: bonds (distance) C4'-P energy: -57.300 bonds (distance) P-C4' energy: -68.261 flat angles C4'-P-C4' energy: -42.856 flat angles P-C4'-P energy: -23.484 tors. eta vs tors. theta energy: -3.790 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: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1162.069857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.069857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.069857 (E_RNA) where: Base-Base interactions energy: -772.792 where: short stacking energy: -377.633 Base-Backbone interact. energy: -0.754 local terms energy: -388.524128 where: bonds (distance) C4'-P energy: -70.681 bonds (distance) P-C4' energy: -73.372 flat angles C4'-P-C4' energy: -74.059 flat angles P-C4'-P energy: -54.819 tors. eta vs tors. theta energy: -115.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1145.093742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.093742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.093742 (E_RNA) where: Base-Base interactions energy: -762.835 where: short stacking energy: -372.855 Base-Backbone interact. energy: 0.691 local terms energy: -382.949656 where: bonds (distance) C4'-P energy: -71.467 bonds (distance) P-C4' energy: -72.513 flat angles C4'-P-C4' energy: -76.041 flat angles P-C4'-P energy: -51.909 tors. eta vs tors. theta energy: -111.020 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: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1040.105701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.105701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.105701 (E_RNA) where: Base-Base interactions energy: -695.465 where: short stacking energy: -314.314 Base-Backbone interact. energy: -0.933 local terms energy: -343.708072 where: bonds (distance) C4'-P energy: -72.298 bonds (distance) P-C4' energy: -71.353 flat angles C4'-P-C4' energy: -73.256 flat angles P-C4'-P energy: -43.593 tors. eta vs tors. theta energy: -83.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -964.935026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.935026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.935026 (E_RNA) where: Base-Base interactions energy: -637.894 where: short stacking energy: -292.418 Base-Backbone interact. energy: 3.386 local terms energy: -330.427722 where: bonds (distance) C4'-P energy: -71.324 bonds (distance) P-C4' energy: -64.447 flat angles C4'-P-C4' energy: -64.869 flat angles P-C4'-P energy: -46.920 tors. eta vs tors. theta energy: -82.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1004.370357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.370357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.370357 (E_RNA) where: Base-Base interactions energy: -679.915 where: short stacking energy: -303.041 Base-Backbone interact. energy: -0.610 local terms energy: -323.845713 where: bonds (distance) C4'-P energy: -66.167 bonds (distance) P-C4' energy: -63.306 flat angles C4'-P-C4' energy: -71.988 flat angles P-C4'-P energy: -42.798 tors. eta vs tors. theta energy: -79.587 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: 459 Temperature: 1.150000 Total energy: -779.741587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.741587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.741587 (E_RNA) where: Base-Base interactions energy: -508.097 where: short stacking energy: -254.120 Base-Backbone interact. energy: 0.727 local terms energy: -272.370622 where: bonds (distance) C4'-P energy: -51.703 bonds (distance) P-C4' energy: -55.855 flat angles C4'-P-C4' energy: -63.818 flat angles P-C4'-P energy: -39.976 tors. eta vs tors. theta energy: -61.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -769.897275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.897275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.897275 (E_RNA) where: Base-Base interactions energy: -491.105 where: short stacking energy: -252.314 Base-Backbone interact. energy: 4.501 local terms energy: -283.293979 where: bonds (distance) C4'-P energy: -56.236 bonds (distance) P-C4' energy: -62.111 flat angles C4'-P-C4' energy: -61.766 flat angles P-C4'-P energy: -41.854 tors. eta vs tors. theta energy: -61.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -610.723779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.723779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.723779 (E_RNA) where: Base-Base interactions energy: -393.958 where: short stacking energy: -177.718 Base-Backbone interact. energy: 2.226 local terms energy: -218.991179 where: bonds (distance) C4'-P energy: -44.234 bonds (distance) P-C4' energy: -48.847 flat angles C4'-P-C4' energy: -68.073 flat angles P-C4'-P energy: -36.444 tors. eta vs tors. theta energy: -21.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -475.251980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.251980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.251980 (E_RNA) where: Base-Base interactions energy: -247.416 where: short stacking energy: -143.539 Base-Backbone interact. energy: -1.414 local terms energy: -226.422812 where: bonds (distance) C4'-P energy: -43.482 bonds (distance) P-C4' energy: -71.835 flat angles C4'-P-C4' energy: -60.102 flat angles P-C4'-P energy: -32.546 tors. eta vs tors. theta energy: -18.458 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: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -317.326816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.326816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.326816 (E_RNA) where: Base-Base interactions energy: -138.929 where: short stacking energy: -88.200 Base-Backbone interact. energy: -1.178 local terms energy: -177.220107 where: bonds (distance) C4'-P energy: -57.084 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -42.291 flat angles P-C4'-P energy: -27.428 tors. eta vs tors. theta energy: 13.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1184.483860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.483860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.483860 (E_RNA) where: Base-Base interactions energy: -793.798 where: short stacking energy: -387.199 Base-Backbone interact. energy: 0.233 local terms energy: -390.919429 where: bonds (distance) C4'-P energy: -66.678 bonds (distance) P-C4' energy: -73.132 flat angles C4'-P-C4' energy: -81.988 flat angles P-C4'-P energy: -53.121 tors. eta vs tors. theta energy: -116.000 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: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1138.968219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.968219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.968219 (E_RNA) where: Base-Base interactions energy: -760.990 where: short stacking energy: -364.314 Base-Backbone interact. energy: 0.242 local terms energy: -378.220076 where: bonds (distance) C4'-P energy: -69.367 bonds (distance) P-C4' energy: -59.406 flat angles C4'-P-C4' energy: -84.468 flat angles P-C4'-P energy: -58.757 tors. eta vs tors. theta energy: -106.222 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: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1042.229497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.229497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.229497 (E_RNA) where: Base-Base interactions energy: -720.411 where: short stacking energy: -337.719 Base-Backbone interact. energy: -0.781 local terms energy: -321.038148 where: bonds (distance) C4'-P energy: -56.167 bonds (distance) P-C4' energy: -55.994 flat angles C4'-P-C4' energy: -68.340 flat angles P-C4'-P energy: -52.737 tors. eta vs tors. theta energy: -87.801 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: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -987.124531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.124531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.124531 (E_RNA) where: Base-Base interactions energy: -641.353 where: short stacking energy: -293.345 Base-Backbone interact. energy: -0.796 local terms energy: -344.975768 where: bonds (distance) C4'-P energy: -59.569 bonds (distance) P-C4' energy: -67.115 flat angles C4'-P-C4' energy: -74.161 flat angles P-C4'-P energy: -57.128 tors. eta vs tors. theta energy: -87.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -985.304954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.304954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.304954 (E_RNA) where: Base-Base interactions energy: -636.122 where: short stacking energy: -288.149 Base-Backbone interact. energy: -0.503 local terms energy: -348.679530 where: bonds (distance) C4'-P energy: -68.074 bonds (distance) P-C4' energy: -70.830 flat angles C4'-P-C4' energy: -68.599 flat angles P-C4'-P energy: -49.938 tors. eta vs tors. theta energy: -91.239 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: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -802.885279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.885279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.885279 (E_RNA) where: Base-Base interactions energy: -504.951 where: short stacking energy: -259.962 Base-Backbone interact. energy: -1.134 local terms energy: -296.800050 where: bonds (distance) C4'-P energy: -65.547 bonds (distance) P-C4' energy: -53.660 flat angles C4'-P-C4' energy: -71.275 flat angles P-C4'-P energy: -39.135 tors. eta vs tors. theta energy: -67.182 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: 8 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -773.942066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.942066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.942066 (E_RNA) where: Base-Base interactions energy: -512.950 where: short stacking energy: -248.036 Base-Backbone interact. energy: 1.480 local terms energy: -262.472077 where: bonds (distance) C4'-P energy: -52.785 bonds (distance) P-C4' energy: -53.527 flat angles C4'-P-C4' energy: -51.253 flat angles P-C4'-P energy: -44.406 tors. eta vs tors. theta energy: -60.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -662.553392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.553392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.553392 (E_RNA) where: Base-Base interactions energy: -420.428 where: short stacking energy: -192.303 Base-Backbone interact. energy: -0.882 local terms energy: -241.243557 where: bonds (distance) C4'-P energy: -36.926 bonds (distance) P-C4' energy: -64.940 flat angles C4'-P-C4' energy: -53.596 flat angles P-C4'-P energy: -42.685 tors. eta vs tors. theta energy: -43.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -474.372958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.372958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.372958 (E_RNA) where: Base-Base interactions energy: -288.034 where: short stacking energy: -147.135 Base-Backbone interact. energy: 0.307 local terms energy: -186.645704 where: bonds (distance) C4'-P energy: -44.430 bonds (distance) P-C4' energy: -46.118 flat angles C4'-P-C4' energy: -57.450 flat angles P-C4'-P energy: -27.183 tors. eta vs tors. theta energy: -11.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -301.814282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.814282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.814282 (E_RNA) where: Base-Base interactions energy: -117.338 where: short stacking energy: -75.960 Base-Backbone interact. energy: -0.972 local terms energy: -183.504770 where: bonds (distance) C4'-P energy: -54.152 bonds (distance) P-C4' energy: -62.422 flat angles C4'-P-C4' energy: -49.939 flat angles P-C4'-P energy: -22.342 tors. eta vs tors. theta energy: 5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1174.941477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.941477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.941477 (E_RNA) where: Base-Base interactions energy: -794.320 where: short stacking energy: -383.633 Base-Backbone interact. energy: -0.850 local terms energy: -379.771232 where: bonds (distance) C4'-P energy: -62.665 bonds (distance) P-C4' energy: -62.076 flat angles C4'-P-C4' energy: -80.545 flat angles P-C4'-P energy: -56.118 tors. eta vs tors. theta energy: -118.366 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: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1150.754034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.754034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.754034 (E_RNA) where: Base-Base interactions energy: -775.863 where: short stacking energy: -371.218 Base-Backbone interact. energy: -1.053 local terms energy: -373.838156 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -63.424 flat angles C4'-P-C4' energy: -68.759 flat angles P-C4'-P energy: -55.789 tors. eta vs tors. theta energy: -115.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1040.282999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.282999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.282999 (E_RNA) where: Base-Base interactions energy: -704.911 where: short stacking energy: -325.108 Base-Backbone interact. energy: -1.344 local terms energy: -334.027159 where: bonds (distance) C4'-P energy: -61.784 bonds (distance) P-C4' energy: -59.294 flat angles C4'-P-C4' energy: -71.314 flat angles P-C4'-P energy: -44.902 tors. eta vs tors. theta energy: -96.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -988.648067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.648067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.648067 (E_RNA) where: Base-Base interactions energy: -654.468 where: short stacking energy: -296.875 Base-Backbone interact. energy: -0.522 local terms energy: -333.658578 where: bonds (distance) C4'-P energy: -64.770 bonds (distance) P-C4' energy: -61.901 flat angles C4'-P-C4' energy: -73.930 flat angles P-C4'-P energy: -49.684 tors. eta vs tors. theta energy: -83.373 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: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -977.345216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.345216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.345216 (E_RNA) where: Base-Base interactions energy: -675.189 where: short stacking energy: -312.013 Base-Backbone interact. energy: 0.872 local terms energy: -303.028122 where: bonds (distance) C4'-P energy: -55.963 bonds (distance) P-C4' energy: -52.426 flat angles C4'-P-C4' energy: -63.164 flat angles P-C4'-P energy: -45.698 tors. eta vs tors. theta energy: -85.778 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: 6, replica: 8 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -777.225169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.225169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.225169 (E_RNA) where: Base-Base interactions energy: -504.331 where: short stacking energy: -249.825 Base-Backbone interact. energy: -0.690 local terms energy: -272.204938 where: bonds (distance) C4'-P energy: -56.861 bonds (distance) P-C4' energy: -48.630 flat angles C4'-P-C4' energy: -67.763 flat angles P-C4'-P energy: -42.349 tors. eta vs tors. theta energy: -56.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -756.908981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.908981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.908981 (E_RNA) where: Base-Base interactions energy: -478.157 where: short stacking energy: -222.919 Base-Backbone interact. energy: -2.420 local terms energy: -276.332454 where: bonds (distance) C4'-P energy: -55.661 bonds (distance) P-C4' energy: -52.338 flat angles C4'-P-C4' energy: -67.202 flat angles P-C4'-P energy: -44.700 tors. eta vs tors. theta energy: -56.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -630.694908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.694908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.694908 (E_RNA) where: Base-Base interactions energy: -415.611 where: short stacking energy: -209.202 Base-Backbone interact. energy: -0.019 local terms energy: -215.064776 where: bonds (distance) C4'-P energy: -43.082 bonds (distance) P-C4' energy: -58.010 flat angles C4'-P-C4' energy: -47.646 flat angles P-C4'-P energy: -29.323 tors. eta vs tors. theta energy: -37.004 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: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -445.826488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.826488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.826488 (E_RNA) where: Base-Base interactions energy: -235.704 where: short stacking energy: -129.660 Base-Backbone interact. energy: 0.162 local terms energy: -210.283810 where: bonds (distance) C4'-P energy: -51.842 bonds (distance) P-C4' energy: -73.288 flat angles C4'-P-C4' energy: -44.622 flat angles P-C4'-P energy: -35.094 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -273.329658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.329658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.329658 (E_RNA) where: Base-Base interactions energy: -94.052 where: short stacking energy: -80.843 Base-Backbone interact. energy: 1.480 local terms energy: -180.758446 where: bonds (distance) C4'-P energy: -52.819 bonds (distance) P-C4' energy: -65.685 flat angles C4'-P-C4' energy: -44.683 flat angles P-C4'-P energy: -24.404 tors. eta vs tors. theta energy: 6.831 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: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1184.512910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.512910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.512910 (E_RNA) where: Base-Base interactions energy: -788.158 where: short stacking energy: -365.251 Base-Backbone interact. energy: 0.522 local terms energy: -396.877325 where: bonds (distance) C4'-P energy: -76.613 bonds (distance) P-C4' energy: -74.526 flat angles C4'-P-C4' energy: -76.790 flat angles P-C4'-P energy: -52.216 tors. eta vs tors. theta energy: -116.734 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: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1135.122848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.122848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.122848 (E_RNA) where: Base-Base interactions energy: -747.262 where: short stacking energy: -373.771 Base-Backbone interact. energy: -0.422 local terms energy: -387.438135 where: bonds (distance) C4'-P energy: -74.484 bonds (distance) P-C4' energy: -61.752 flat angles C4'-P-C4' energy: -83.176 flat angles P-C4'-P energy: -54.721 tors. eta vs tors. theta energy: -113.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1046.147763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.147763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.147763 (E_RNA) where: Base-Base interactions energy: -707.388 where: short stacking energy: -335.647 Base-Backbone interact. energy: 0.207 local terms energy: -338.967304 where: bonds (distance) C4'-P energy: -60.939 bonds (distance) P-C4' energy: -69.835 flat angles C4'-P-C4' energy: -76.012 flat angles P-C4'-P energy: -43.866 tors. eta vs tors. theta energy: -88.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -962.351675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.351675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.351675 (E_RNA) where: Base-Base interactions energy: -632.502 where: short stacking energy: -291.386 Base-Backbone interact. energy: -0.098 local terms energy: -329.752597 where: bonds (distance) C4'-P energy: -64.071 bonds (distance) P-C4' energy: -68.545 flat angles C4'-P-C4' energy: -69.012 flat angles P-C4'-P energy: -49.888 tors. eta vs tors. theta energy: -78.236 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: 462 Temperature: 1.100000 Total energy: -955.964811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.964811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.964811 (E_RNA) where: Base-Base interactions energy: -660.940 where: short stacking energy: -299.992 Base-Backbone interact. energy: 1.067 local terms energy: -296.092774 where: bonds (distance) C4'-P energy: -53.710 bonds (distance) P-C4' energy: -48.282 flat angles C4'-P-C4' energy: -75.472 flat angles P-C4'-P energy: -39.172 tors. eta vs tors. theta energy: -79.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -775.886792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.886792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.886792 (E_RNA) where: Base-Base interactions energy: -491.399 where: short stacking energy: -238.161 Base-Backbone interact. energy: -0.857 local terms energy: -283.630985 where: bonds (distance) C4'-P energy: -59.489 bonds (distance) P-C4' energy: -50.943 flat angles C4'-P-C4' energy: -72.796 flat angles P-C4'-P energy: -40.846 tors. eta vs tors. theta energy: -59.557 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: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -686.429214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.429214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.429214 (E_RNA) where: Base-Base interactions energy: -418.187 where: short stacking energy: -213.201 Base-Backbone interact. energy: -1.687 local terms energy: -266.555799 where: bonds (distance) C4'-P energy: -59.785 bonds (distance) P-C4' energy: -69.965 flat angles C4'-P-C4' energy: -69.602 flat angles P-C4'-P energy: -22.947 tors. eta vs tors. theta energy: -44.256 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: 462 Temperature: 1.250000 Total energy: -693.763161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.763161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.763161 (E_RNA) where: Base-Base interactions energy: -432.197 where: short stacking energy: -180.969 Base-Backbone interact. energy: -0.491 local terms energy: -261.074562 where: bonds (distance) C4'-P energy: -63.352 bonds (distance) P-C4' energy: -65.970 flat angles C4'-P-C4' energy: -55.327 flat angles P-C4'-P energy: -42.086 tors. eta vs tors. theta energy: -34.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -461.348919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.348919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.348919 (E_RNA) where: Base-Base interactions energy: -274.989 where: short stacking energy: -129.668 Base-Backbone interact. energy: -1.653 local terms energy: -184.706942 where: bonds (distance) C4'-P energy: -52.828 bonds (distance) P-C4' energy: -60.913 flat angles C4'-P-C4' energy: -41.959 flat angles P-C4'-P energy: -26.662 tors. eta vs tors. theta energy: -2.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -299.282482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.282482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.282482 (E_RNA) where: Base-Base interactions energy: -112.631 where: short stacking energy: -78.389 Base-Backbone interact. energy: 0.306 local terms energy: -186.958028 where: bonds (distance) C4'-P energy: -64.593 bonds (distance) P-C4' energy: -52.414 flat angles C4'-P-C4' energy: -50.116 flat angles P-C4'-P energy: -15.521 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1174.275685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.275685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.275685 (E_RNA) where: Base-Base interactions energy: -787.215 where: short stacking energy: -378.207 Base-Backbone interact. energy: 0.470 local terms energy: -387.530586 where: bonds (distance) C4'-P energy: -67.814 bonds (distance) P-C4' energy: -69.035 flat angles C4'-P-C4' energy: -77.193 flat angles P-C4'-P energy: -55.422 tors. eta vs tors. theta energy: -118.067 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: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1118.206607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.206607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.206607 (E_RNA) where: Base-Base interactions energy: -745.631 where: short stacking energy: -356.628 Base-Backbone interact. energy: -1.480 local terms energy: -371.095462 where: bonds (distance) C4'-P energy: -78.125 bonds (distance) P-C4' energy: -54.005 flat angles C4'-P-C4' energy: -71.128 flat angles P-C4'-P energy: -57.750 tors. eta vs tors. theta energy: -110.087 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: 463 Temperature: 1.000000 Total energy: -1034.946470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.946470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.946470 (E_RNA) where: Base-Base interactions energy: -709.807 where: short stacking energy: -328.203 Base-Backbone interact. energy: 0.451 local terms energy: -325.590802 where: bonds (distance) C4'-P energy: -60.069 bonds (distance) P-C4' energy: -68.291 flat angles C4'-P-C4' energy: -68.509 flat angles P-C4'-P energy: -49.232 tors. eta vs tors. theta energy: -79.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -974.158738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.158738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.158738 (E_RNA) where: Base-Base interactions energy: -648.496 where: short stacking energy: -292.447 Base-Backbone interact. energy: 1.250 local terms energy: -326.912444 where: bonds (distance) C4'-P energy: -58.906 bonds (distance) P-C4' energy: -69.152 flat angles C4'-P-C4' energy: -76.682 flat angles P-C4'-P energy: -45.592 tors. eta vs tors. theta energy: -76.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -957.244290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.244290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.244290 (E_RNA) where: Base-Base interactions energy: -638.058 where: short stacking energy: -281.298 Base-Backbone interact. energy: 0.599 local terms energy: -319.784579 where: bonds (distance) C4'-P energy: -67.614 bonds (distance) P-C4' energy: -62.641 flat angles C4'-P-C4' energy: -62.185 flat angles P-C4'-P energy: -54.723 tors. eta vs tors. theta energy: -72.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -784.758810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.758810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.758810 (E_RNA) where: Base-Base interactions energy: -504.411 where: short stacking energy: -241.328 Base-Backbone interact. energy: -1.141 local terms energy: -279.207008 where: bonds (distance) C4'-P energy: -62.779 bonds (distance) P-C4' energy: -66.226 flat angles C4'-P-C4' energy: -55.504 flat angles P-C4'-P energy: -33.875 tors. eta vs tors. theta energy: -60.824 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: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -726.534362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.534362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.534362 (E_RNA) where: Base-Base interactions energy: -466.242 where: short stacking energy: -214.130 Base-Backbone interact. energy: -2.608 local terms energy: -257.684688 where: bonds (distance) C4'-P energy: -61.661 bonds (distance) P-C4' energy: -66.184 flat angles C4'-P-C4' energy: -56.745 flat angles P-C4'-P energy: -32.748 tors. eta vs tors. theta energy: -40.346 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: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -725.900688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.900688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.900688 (E_RNA) where: Base-Base interactions energy: -463.406 where: short stacking energy: -228.062 Base-Backbone interact. energy: -1.047 local terms energy: -261.446888 where: bonds (distance) C4'-P energy: -48.132 bonds (distance) P-C4' energy: -58.387 flat angles C4'-P-C4' energy: -62.535 flat angles P-C4'-P energy: -38.175 tors. eta vs tors. theta energy: -54.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -464.238412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.238412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.238412 (E_RNA) where: Base-Base interactions energy: -266.622 where: short stacking energy: -128.183 Base-Backbone interact. energy: 0.547 local terms energy: -198.163243 where: bonds (distance) C4'-P energy: -54.252 bonds (distance) P-C4' energy: -74.374 flat angles C4'-P-C4' energy: -34.312 flat angles P-C4'-P energy: -18.747 tors. eta vs tors. theta energy: -16.478 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: 463 Temperature: 1.350000 Total energy: -296.986235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.986235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.986235 (E_RNA) where: Base-Base interactions energy: -93.559 where: short stacking energy: -76.277 Base-Backbone interact. energy: -0.919 local terms energy: -202.507500 where: bonds (distance) C4'-P energy: -58.156 bonds (distance) P-C4' energy: -56.988 flat angles C4'-P-C4' energy: -61.623 flat angles P-C4'-P energy: -30.115 tors. eta vs tors. theta energy: 4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1174.117909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.117909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.117909 (E_RNA) where: Base-Base interactions energy: -783.256 where: short stacking energy: -379.038 Base-Backbone interact. energy: -0.142 local terms energy: -390.719740 where: bonds (distance) C4'-P energy: -69.720 bonds (distance) P-C4' energy: -64.720 flat angles C4'-P-C4' energy: -78.298 flat angles P-C4'-P energy: -61.583 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: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1114.762133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.762133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.762133 (E_RNA) where: Base-Base interactions energy: -741.256 where: short stacking energy: -367.052 Base-Backbone interact. energy: -0.205 local terms energy: -373.300955 where: bonds (distance) C4'-P energy: -67.089 bonds (distance) P-C4' energy: -65.132 flat angles C4'-P-C4' energy: -75.375 flat angles P-C4'-P energy: -55.540 tors. eta vs tors. theta energy: -110.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1038.427014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.427014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.427014 (E_RNA) where: Base-Base interactions energy: -687.646 where: short stacking energy: -319.497 Base-Backbone interact. energy: -0.801 local terms energy: -349.979958 where: bonds (distance) C4'-P energy: -65.867 bonds (distance) P-C4' energy: -65.938 flat angles C4'-P-C4' energy: -80.012 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -85.676 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: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -966.728368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.728368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.728368 (E_RNA) where: Base-Base interactions energy: -637.140 where: short stacking energy: -302.206 Base-Backbone interact. energy: -0.429 local terms energy: -329.159720 where: bonds (distance) C4'-P energy: -64.873 bonds (distance) P-C4' energy: -69.658 flat angles C4'-P-C4' energy: -61.231 flat angles P-C4'-P energy: -45.958 tors. eta vs tors. theta energy: -87.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -935.685038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.685038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.685038 (E_RNA) where: Base-Base interactions energy: -642.330 where: short stacking energy: -289.042 Base-Backbone interact. energy: -0.835 local terms energy: -292.520913 where: bonds (distance) C4'-P energy: -54.780 bonds (distance) P-C4' energy: -51.653 flat angles C4'-P-C4' energy: -71.273 flat angles P-C4'-P energy: -46.688 tors. eta vs tors. theta energy: -68.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -815.561378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.561378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.561378 (E_RNA) where: Base-Base interactions energy: -540.616 where: short stacking energy: -261.181 Base-Backbone interact. energy: -0.437 local terms energy: -274.508198 where: bonds (distance) C4'-P energy: -53.951 bonds (distance) P-C4' energy: -68.955 flat angles C4'-P-C4' energy: -39.111 flat angles P-C4'-P energy: -41.652 tors. eta vs tors. theta energy: -70.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -788.316226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.316226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.316226 (E_RNA) where: Base-Base interactions energy: -506.231 where: short stacking energy: -249.944 Base-Backbone interact. energy: -0.979 local terms energy: -281.106599 where: bonds (distance) C4'-P energy: -56.941 bonds (distance) P-C4' energy: -54.202 flat angles C4'-P-C4' energy: -70.198 flat angles P-C4'-P energy: -38.723 tors. eta vs tors. theta energy: -61.042 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: 5 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -682.771379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.771379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.771379 (E_RNA) where: Base-Base interactions energy: -438.801 where: short stacking energy: -202.995 Base-Backbone interact. energy: -1.963 local terms energy: -242.006698 where: bonds (distance) C4'-P energy: -53.180 bonds (distance) P-C4' energy: -61.430 flat angles C4'-P-C4' energy: -55.744 flat angles P-C4'-P energy: -28.400 tors. eta vs tors. theta energy: -43.252 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: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -455.500414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.500414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.500414 (E_RNA) where: Base-Base interactions energy: -259.036 where: short stacking energy: -137.578 Base-Backbone interact. energy: 3.332 local terms energy: -199.795978 where: bonds (distance) C4'-P energy: -45.182 bonds (distance) P-C4' energy: -58.709 flat angles C4'-P-C4' energy: -56.616 flat angles P-C4'-P energy: -29.532 tors. eta vs tors. theta energy: -9.756 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: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -299.274409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.274409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.274409 (E_RNA) where: Base-Base interactions energy: -109.030 where: short stacking energy: -80.852 Base-Backbone interact. energy: -0.226 local terms energy: -190.018331 where: bonds (distance) C4'-P energy: -58.319 bonds (distance) P-C4' energy: -49.810 flat angles C4'-P-C4' energy: -56.134 flat angles P-C4'-P energy: -24.951 tors. eta vs tors. theta energy: -0.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1190.030234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.030234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.030234 (E_RNA) where: Base-Base interactions energy: -811.130 where: short stacking energy: -398.300 Base-Backbone interact. energy: -0.281 local terms energy: -378.619602 where: bonds (distance) C4'-P energy: -57.758 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -76.477 flat angles P-C4'-P energy: -55.908 tors. eta vs tors. theta energy: -119.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1093.903162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.903162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.903162 (E_RNA) where: Base-Base interactions energy: -724.267 where: short stacking energy: -362.302 Base-Backbone interact. energy: -0.724 local terms energy: -368.912324 where: bonds (distance) C4'-P energy: -60.714 bonds (distance) P-C4' energy: -69.675 flat angles C4'-P-C4' energy: -82.944 flat angles P-C4'-P energy: -44.898 tors. eta vs tors. theta energy: -110.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1043.792206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.792206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.792206 (E_RNA) where: Base-Base interactions energy: -703.652 where: short stacking energy: -317.120 Base-Backbone interact. energy: -0.105 local terms energy: -340.035135 where: bonds (distance) C4'-P energy: -66.665 bonds (distance) P-C4' energy: -61.650 flat angles C4'-P-C4' energy: -66.781 flat angles P-C4'-P energy: -55.852 tors. eta vs tors. theta energy: -89.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -973.461294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.461294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.461294 (E_RNA) where: Base-Base interactions energy: -632.114 where: short stacking energy: -319.779 Base-Backbone interact. energy: -0.923 local terms energy: -340.424271 where: bonds (distance) C4'-P energy: -62.852 bonds (distance) P-C4' energy: -61.187 flat angles C4'-P-C4' energy: -72.652 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -93.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -914.671630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.671630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.671630 (E_RNA) where: Base-Base interactions energy: -616.926 where: short stacking energy: -273.848 Base-Backbone interact. energy: 1.400 local terms energy: -299.145857 where: bonds (distance) C4'-P energy: -66.911 bonds (distance) P-C4' energy: -65.959 flat angles C4'-P-C4' energy: -62.068 flat angles P-C4'-P energy: -31.313 tors. eta vs tors. theta energy: -72.895 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: 8 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -830.619705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.619705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.619705 (E_RNA) where: Base-Base interactions energy: -530.277 where: short stacking energy: -259.935 Base-Backbone interact. energy: -0.759 local terms energy: -299.583686 where: bonds (distance) C4'-P energy: -64.254 bonds (distance) P-C4' energy: -54.631 flat angles C4'-P-C4' energy: -70.302 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: -69.054 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: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -730.461614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.461614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.461614 (E_RNA) where: Base-Base interactions energy: -454.997 where: short stacking energy: -237.465 Base-Backbone interact. energy: 0.372 local terms energy: -275.837465 where: bonds (distance) C4'-P energy: -60.527 bonds (distance) P-C4' energy: -56.756 flat angles C4'-P-C4' energy: -61.693 flat angles P-C4'-P energy: -36.927 tors. eta vs tors. theta energy: -59.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -597.129026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.129026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.129026 (E_RNA) where: Base-Base interactions energy: -366.846 where: short stacking energy: -171.103 Base-Backbone interact. energy: -1.113 local terms energy: -229.170832 where: bonds (distance) C4'-P energy: -65.784 bonds (distance) P-C4' energy: -59.985 flat angles C4'-P-C4' energy: -56.365 flat angles P-C4'-P energy: -24.585 tors. eta vs tors. theta energy: -22.452 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: 465 Temperature: 1.300000 Total energy: -507.031166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.031166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.031166 (E_RNA) where: Base-Base interactions energy: -255.285 where: short stacking energy: -147.343 Base-Backbone interact. energy: -0.797 local terms energy: -250.948629 where: bonds (distance) C4'-P energy: -62.602 bonds (distance) P-C4' energy: -69.216 flat angles C4'-P-C4' energy: -54.469 flat angles P-C4'-P energy: -31.287 tors. eta vs tors. theta energy: -33.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -299.248545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.248545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.248545 (E_RNA) where: Base-Base interactions energy: -122.897 where: short stacking energy: -83.716 Base-Backbone interact. energy: 1.082 local terms energy: -177.433451 where: bonds (distance) C4'-P energy: -59.424 bonds (distance) P-C4' energy: -58.693 flat angles C4'-P-C4' energy: -43.707 flat angles P-C4'-P energy: -28.803 tors. eta vs tors. theta energy: 13.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1195.608979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.608979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.608979 (E_RNA) where: Base-Base interactions energy: -787.662 where: short stacking energy: -384.599 Base-Backbone interact. energy: -0.295 local terms energy: -407.652096 where: bonds (distance) C4'-P energy: -71.757 bonds (distance) P-C4' energy: -79.544 flat angles C4'-P-C4' energy: -70.945 flat angles P-C4'-P energy: -61.208 tors. eta vs tors. theta energy: -124.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1101.986370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.986370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.986370 (E_RNA) where: Base-Base interactions energy: -733.716 where: short stacking energy: -349.394 Base-Backbone interact. energy: -0.181 local terms energy: -368.088959 where: bonds (distance) C4'-P energy: -74.234 bonds (distance) P-C4' energy: -77.673 flat angles C4'-P-C4' energy: -69.407 flat angles P-C4'-P energy: -36.065 tors. eta vs tors. theta energy: -110.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1033.564351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.564351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.564351 (E_RNA) where: Base-Base interactions energy: -686.584 where: short stacking energy: -323.808 Base-Backbone interact. energy: -0.561 local terms energy: -346.419772 where: bonds (distance) C4'-P energy: -53.598 bonds (distance) P-C4' energy: -67.874 flat angles C4'-P-C4' energy: -79.999 flat angles P-C4'-P energy: -57.218 tors. eta vs tors. theta energy: -87.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -947.758274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.758274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.758274 (E_RNA) where: Base-Base interactions energy: -609.892 where: short stacking energy: -296.521 Base-Backbone interact. energy: -1.512 local terms energy: -336.354156 where: bonds (distance) C4'-P energy: -66.780 bonds (distance) P-C4' energy: -64.413 flat angles C4'-P-C4' energy: -68.782 flat angles P-C4'-P energy: -41.825 tors. eta vs tors. theta energy: -94.554 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: 5, replica: 4 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -923.450309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.450309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.450309 (E_RNA) where: Base-Base interactions energy: -622.753 where: short stacking energy: -293.435 Base-Backbone interact. energy: 0.391 local terms energy: -301.088452 where: bonds (distance) C4'-P energy: -51.605 bonds (distance) P-C4' energy: -57.845 flat angles C4'-P-C4' energy: -72.555 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -75.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -855.345720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.345720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.345720 (E_RNA) where: Base-Base interactions energy: -554.453 where: short stacking energy: -268.309 Base-Backbone interact. energy: -0.580 local terms energy: -300.312621 where: bonds (distance) C4'-P energy: -64.275 bonds (distance) P-C4' energy: -57.088 flat angles C4'-P-C4' energy: -67.800 flat angles P-C4'-P energy: -40.537 tors. eta vs tors. theta energy: -70.613 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: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -738.383994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.383994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.383994 (E_RNA) where: Base-Base interactions energy: -461.725 where: short stacking energy: -223.645 Base-Backbone interact. energy: -0.702 local terms energy: -275.956636 where: bonds (distance) C4'-P energy: -55.691 bonds (distance) P-C4' energy: -63.684 flat angles C4'-P-C4' energy: -62.468 flat angles P-C4'-P energy: -45.534 tors. eta vs tors. theta energy: -48.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -646.197674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.197674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.197674 (E_RNA) where: Base-Base interactions energy: -409.029 where: short stacking energy: -187.037 Base-Backbone interact. energy: -0.821 local terms energy: -236.347151 where: bonds (distance) C4'-P energy: -54.787 bonds (distance) P-C4' energy: -55.718 flat angles C4'-P-C4' energy: -63.338 flat angles P-C4'-P energy: -37.945 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: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -412.971065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.971065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.971065 (E_RNA) where: Base-Base interactions energy: -211.497 where: short stacking energy: -120.447 Base-Backbone interact. energy: 3.307 local terms energy: -204.780528 where: bonds (distance) C4'-P energy: -51.569 bonds (distance) P-C4' energy: -70.015 flat angles C4'-P-C4' energy: -60.826 flat angles P-C4'-P energy: -21.622 tors. eta vs tors. theta energy: -0.749 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: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -288.182754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.182754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.182754 (E_RNA) where: Base-Base interactions energy: -105.043 where: short stacking energy: -81.134 Base-Backbone interact. energy: -0.596 local terms energy: -182.543962 where: bonds (distance) C4'-P energy: -56.938 bonds (distance) P-C4' energy: -55.884 flat angles C4'-P-C4' energy: -57.515 flat angles P-C4'-P energy: -28.533 tors. eta vs tors. theta energy: 16.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1190.761777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.761777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.761777 (E_RNA) where: Base-Base interactions energy: -781.132 where: short stacking energy: -380.759 Base-Backbone interact. energy: -1.374 local terms energy: -408.255930 where: bonds (distance) C4'-P energy: -77.624 bonds (distance) P-C4' energy: -74.170 flat angles C4'-P-C4' energy: -84.222 flat angles P-C4'-P energy: -55.699 tors. eta vs tors. theta energy: -116.540 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: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1126.576085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.576085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.576085 (E_RNA) where: Base-Base interactions energy: -757.392 where: short stacking energy: -372.299 Base-Backbone interact. energy: 0.571 local terms energy: -369.754731 where: bonds (distance) C4'-P energy: -68.490 bonds (distance) P-C4' energy: -68.299 flat angles C4'-P-C4' energy: -73.868 flat angles P-C4'-P energy: -51.343 tors. eta vs tors. theta energy: -107.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1017.173896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.173896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.173896 (E_RNA) where: Base-Base interactions energy: -677.868 where: short stacking energy: -302.934 Base-Backbone interact. energy: 0.167 local terms energy: -339.473709 where: bonds (distance) C4'-P energy: -66.662 bonds (distance) P-C4' energy: -69.752 flat angles C4'-P-C4' energy: -66.754 flat angles P-C4'-P energy: -51.264 tors. eta vs tors. theta energy: -85.041 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: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -981.844584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.844584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.844584 (E_RNA) where: Base-Base interactions energy: -633.380 where: short stacking energy: -281.040 Base-Backbone interact. energy: -0.569 local terms energy: -347.896007 where: bonds (distance) C4'-P energy: -70.833 bonds (distance) P-C4' energy: -68.795 flat angles C4'-P-C4' energy: -70.974 flat angles P-C4'-P energy: -55.180 tors. eta vs tors. theta energy: -82.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -972.383697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.383697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.383697 (E_RNA) where: Base-Base interactions energy: -629.195 where: short stacking energy: -298.998 Base-Backbone interact. energy: -1.739 local terms energy: -341.449565 where: bonds (distance) C4'-P energy: -58.487 bonds (distance) P-C4' energy: -70.560 flat angles C4'-P-C4' energy: -76.841 flat angles P-C4'-P energy: -46.916 tors. eta vs tors. theta energy: -88.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -810.789850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.789850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.789850 (E_RNA) where: Base-Base interactions energy: -510.970 where: short stacking energy: -251.486 Base-Backbone interact. energy: 0.302 local terms energy: -300.122047 where: bonds (distance) C4'-P energy: -55.549 bonds (distance) P-C4' energy: -71.545 flat angles C4'-P-C4' energy: -59.086 flat angles P-C4'-P energy: -48.879 tors. eta vs tors. theta energy: -65.062 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: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -742.856805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.856805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.856805 (E_RNA) where: Base-Base interactions energy: -487.120 where: short stacking energy: -236.569 Base-Backbone interact. energy: -1.510 local terms energy: -254.227308 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -41.212 flat angles C4'-P-C4' energy: -69.681 flat angles P-C4'-P energy: -37.985 tors. eta vs tors. theta energy: -48.281 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: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -682.036652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.036652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.036652 (E_RNA) where: Base-Base interactions energy: -444.227 where: short stacking energy: -193.106 Base-Backbone interact. energy: -0.758 local terms energy: -237.052434 where: bonds (distance) C4'-P energy: -53.883 bonds (distance) P-C4' energy: -57.624 flat angles C4'-P-C4' energy: -59.978 flat angles P-C4'-P energy: -28.253 tors. eta vs tors. theta energy: -37.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -453.835151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.835151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.835151 (E_RNA) where: Base-Base interactions energy: -219.178 where: short stacking energy: -131.090 Base-Backbone interact. energy: -0.764 local terms energy: -233.894019 where: bonds (distance) C4'-P energy: -60.491 bonds (distance) P-C4' energy: -66.303 flat angles C4'-P-C4' energy: -63.620 flat angles P-C4'-P energy: -28.904 tors. eta vs tors. theta energy: -14.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -313.417104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.417104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.417104 (E_RNA) where: Base-Base interactions energy: -130.627 where: short stacking energy: -83.378 Base-Backbone interact. energy: 0.083 local terms energy: -182.873149 where: bonds (distance) C4'-P energy: -57.884 bonds (distance) P-C4' energy: -63.441 flat angles C4'-P-C4' energy: -58.461 flat angles P-C4'-P energy: -12.740 tors. eta vs tors. theta energy: 9.654 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: 6 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1177.979702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.979702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.979702 (E_RNA) where: Base-Base interactions energy: -789.385 where: short stacking energy: -371.097 Base-Backbone interact. energy: -0.041 local terms energy: -388.553349 where: bonds (distance) C4'-P energy: -61.772 bonds (distance) P-C4' energy: -74.272 flat angles C4'-P-C4' energy: -82.964 flat angles P-C4'-P energy: -54.783 tors. eta vs tors. theta energy: -114.762 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: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1132.163185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.163185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.163185 (E_RNA) where: Base-Base interactions energy: -766.296 where: short stacking energy: -382.871 Base-Backbone interact. energy: -0.459 local terms energy: -365.408331 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -81.900 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: -108.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1026.660070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.660070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.660070 (E_RNA) where: Base-Base interactions energy: -694.210 where: short stacking energy: -309.564 Base-Backbone interact. energy: -0.505 local terms energy: -331.945041 where: bonds (distance) C4'-P energy: -74.026 bonds (distance) P-C4' energy: -66.134 flat angles C4'-P-C4' energy: -64.965 flat angles P-C4'-P energy: -53.816 tors. eta vs tors. theta energy: -73.003 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: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -978.670985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.670985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.670985 (E_RNA) where: Base-Base interactions energy: -647.129 where: short stacking energy: -309.412 Base-Backbone interact. energy: -0.509 local terms energy: -331.032369 where: bonds (distance) C4'-P energy: -68.193 bonds (distance) P-C4' energy: -64.673 flat angles C4'-P-C4' energy: -72.943 flat angles P-C4'-P energy: -47.055 tors. eta vs tors. theta energy: -78.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1010.935026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.935026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.935026 (E_RNA) where: Base-Base interactions energy: -696.508 where: short stacking energy: -317.178 Base-Backbone interact. energy: 1.369 local terms energy: -315.795566 where: bonds (distance) C4'-P energy: -50.190 bonds (distance) P-C4' energy: -60.842 flat angles C4'-P-C4' energy: -64.420 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -93.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -797.292427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.292427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.292427 (E_RNA) where: Base-Base interactions energy: -473.591 where: short stacking energy: -225.123 Base-Backbone interact. energy: -1.515 local terms energy: -322.186480 where: bonds (distance) C4'-P energy: -66.925 bonds (distance) P-C4' energy: -69.021 flat angles C4'-P-C4' energy: -76.657 flat angles P-C4'-P energy: -43.139 tors. eta vs tors. theta energy: -66.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -787.268956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.268956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.268956 (E_RNA) where: Base-Base interactions energy: -503.345 where: short stacking energy: -242.910 Base-Backbone interact. energy: -0.298 local terms energy: -283.626625 where: bonds (distance) C4'-P energy: -53.115 bonds (distance) P-C4' energy: -57.692 flat angles C4'-P-C4' energy: -60.327 flat angles P-C4'-P energy: -49.157 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: 8, replica: 5 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -664.357170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.357170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.357170 (E_RNA) where: Base-Base interactions energy: -401.015 where: short stacking energy: -208.220 Base-Backbone interact. energy: -1.571 local terms energy: -261.771113 where: bonds (distance) C4'-P energy: -59.158 bonds (distance) P-C4' energy: -65.279 flat angles C4'-P-C4' energy: -63.436 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: -30.328 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: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -377.007794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.007794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.007794 (E_RNA) where: Base-Base interactions energy: -155.290 where: short stacking energy: -101.538 Base-Backbone interact. energy: 1.022 local terms energy: -222.739186 where: bonds (distance) C4'-P energy: -55.427 bonds (distance) P-C4' energy: -60.065 flat angles C4'-P-C4' energy: -67.002 flat angles P-C4'-P energy: -26.609 tors. eta vs tors. theta energy: -13.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -375.193194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.193194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.193194 (E_RNA) where: Base-Base interactions energy: -178.709 where: short stacking energy: -111.352 Base-Backbone interact. energy: -1.285 local terms energy: -195.198775 where: bonds (distance) C4'-P energy: -56.784 bonds (distance) P-C4' energy: -65.415 flat angles C4'-P-C4' energy: -56.813 flat angles P-C4'-P energy: -28.356 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: 1, replica: 6 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1169.450573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.450573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.450573 (E_RNA) where: Base-Base interactions energy: -772.425 where: short stacking energy: -378.557 Base-Backbone interact. energy: 0.372 local terms energy: -397.397466 where: bonds (distance) C4'-P energy: -73.326 bonds (distance) P-C4' energy: -75.412 flat angles C4'-P-C4' energy: -83.876 flat angles P-C4'-P energy: -54.710 tors. eta vs tors. theta energy: -110.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1118.368565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.368565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.368565 (E_RNA) where: Base-Base interactions energy: -740.088 where: short stacking energy: -357.173 Base-Backbone interact. energy: 0.149 local terms energy: -378.429070 where: bonds (distance) C4'-P energy: -75.309 bonds (distance) P-C4' energy: -61.451 flat angles C4'-P-C4' energy: -80.228 flat angles P-C4'-P energy: -53.640 tors. eta vs tors. theta energy: -107.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1016.594106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.594106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.594106 (E_RNA) where: Base-Base interactions energy: -680.850 where: short stacking energy: -310.506 Base-Backbone interact. energy: -1.030 local terms energy: -334.713339 where: bonds (distance) C4'-P energy: -59.279 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -78.529 flat angles P-C4'-P energy: -42.058 tors. eta vs tors. theta energy: -86.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1016.776829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.776829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.776829 (E_RNA) where: Base-Base interactions energy: -683.521 where: short stacking energy: -309.698 Base-Backbone interact. energy: -1.432 local terms energy: -331.823377 where: bonds (distance) C4'-P energy: -62.753 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -65.097 flat angles P-C4'-P energy: -48.150 tors. eta vs tors. theta energy: -94.256 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: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -934.238963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.238963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.238963 (E_RNA) where: Base-Base interactions energy: -609.900 where: short stacking energy: -283.029 Base-Backbone interact. energy: 4.352 local terms energy: -328.691431 where: bonds (distance) C4'-P energy: -58.851 bonds (distance) P-C4' energy: -69.043 flat angles C4'-P-C4' energy: -66.488 flat angles P-C4'-P energy: -55.133 tors. eta vs tors. theta energy: -79.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -797.671067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.671067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.671067 (E_RNA) where: Base-Base interactions energy: -493.755 where: short stacking energy: -235.648 Base-Backbone interact. energy: 0.355 local terms energy: -304.270442 where: bonds (distance) C4'-P energy: -74.129 bonds (distance) P-C4' energy: -66.648 flat angles C4'-P-C4' energy: -62.819 flat angles P-C4'-P energy: -41.852 tors. eta vs tors. theta energy: -58.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -759.581671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.581671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.581671 (E_RNA) where: Base-Base interactions energy: -481.235 where: short stacking energy: -253.748 Base-Backbone interact. energy: -0.978 local terms energy: -277.368414 where: bonds (distance) C4'-P energy: -49.295 bonds (distance) P-C4' energy: -53.270 flat angles C4'-P-C4' energy: -71.670 flat angles P-C4'-P energy: -41.079 tors. eta vs tors. theta energy: -62.055 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: 5 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -695.834975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.834975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.834975 (E_RNA) where: Base-Base interactions energy: -463.367 where: short stacking energy: -209.124 Base-Backbone interact. energy: -0.707 local terms energy: -231.760933 where: bonds (distance) C4'-P energy: -53.221 bonds (distance) P-C4' energy: -56.577 flat angles C4'-P-C4' energy: -52.720 flat angles P-C4'-P energy: -30.322 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: 9, replica: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -397.666993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.666993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.666993 (E_RNA) where: Base-Base interactions energy: -201.264 where: short stacking energy: -110.720 Base-Backbone interact. energy: 1.176 local terms energy: -197.579312 where: bonds (distance) C4'-P energy: -59.961 bonds (distance) P-C4' energy: -61.983 flat angles C4'-P-C4' energy: -43.388 flat angles P-C4'-P energy: -36.697 tors. eta vs tors. theta energy: 4.451 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: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -344.016708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.016708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.016708 (E_RNA) where: Base-Base interactions energy: -140.036 where: short stacking energy: -90.203 Base-Backbone interact. energy: 0.039 local terms energy: -204.020360 where: bonds (distance) C4'-P energy: -52.273 bonds (distance) P-C4' energy: -63.296 flat angles C4'-P-C4' energy: -51.728 flat angles P-C4'-P energy: -32.555 tors. eta vs tors. theta energy: -4.168 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: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1166.291534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.291534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.291534 (E_RNA) where: Base-Base interactions energy: -782.218 where: short stacking energy: -372.302 Base-Backbone interact. energy: 1.275 local terms energy: -385.348787 where: bonds (distance) C4'-P energy: -59.590 bonds (distance) P-C4' energy: -75.983 flat angles C4'-P-C4' energy: -82.595 flat angles P-C4'-P energy: -55.064 tors. eta vs tors. theta energy: -112.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1125.127045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.127045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.127045 (E_RNA) where: Base-Base interactions energy: -751.417 where: short stacking energy: -357.851 Base-Backbone interact. energy: -0.158 local terms energy: -373.551918 where: bonds (distance) C4'-P energy: -55.264 bonds (distance) P-C4' energy: -68.105 flat angles C4'-P-C4' energy: -85.585 flat angles P-C4'-P energy: -53.486 tors. eta vs tors. theta energy: -111.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1025.122036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.122036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.122036 (E_RNA) where: Base-Base interactions energy: -692.909 where: short stacking energy: -331.743 Base-Backbone interact. energy: -1.114 local terms energy: -331.099867 where: bonds (distance) C4'-P energy: -61.549 bonds (distance) P-C4' energy: -63.892 flat angles C4'-P-C4' energy: -60.600 flat angles P-C4'-P energy: -44.775 tors. eta vs tors. theta energy: -100.284 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: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1029.804856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.804856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.804856 (E_RNA) where: Base-Base interactions energy: -693.437 where: short stacking energy: -322.415 Base-Backbone interact. energy: -1.071 local terms energy: -335.296695 where: bonds (distance) C4'-P energy: -68.450 bonds (distance) P-C4' energy: -63.247 flat angles C4'-P-C4' energy: -72.149 flat angles P-C4'-P energy: -47.084 tors. eta vs tors. theta energy: -84.366 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: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -921.358115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.358115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.358115 (E_RNA) where: Base-Base interactions energy: -610.056 where: short stacking energy: -284.154 Base-Backbone interact. energy: 0.513 local terms energy: -311.814833 where: bonds (distance) C4'-P energy: -56.825 bonds (distance) P-C4' energy: -56.844 flat angles C4'-P-C4' energy: -70.686 flat angles P-C4'-P energy: -48.847 tors. eta vs tors. theta energy: -78.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -741.875156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.875156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.875156 (E_RNA) where: Base-Base interactions energy: -454.707 where: short stacking energy: -212.897 Base-Backbone interact. energy: -0.576 local terms energy: -286.591980 where: bonds (distance) C4'-P energy: -66.976 bonds (distance) P-C4' energy: -52.772 flat angles C4'-P-C4' energy: -73.484 flat angles P-C4'-P energy: -44.873 tors. eta vs tors. theta energy: -48.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -730.411826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.411826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.411826 (E_RNA) where: Base-Base interactions energy: -471.599 where: short stacking energy: -221.681 Base-Backbone interact. energy: -1.897 local terms energy: -256.916198 where: bonds (distance) C4'-P energy: -63.659 bonds (distance) P-C4' energy: -41.770 flat angles C4'-P-C4' energy: -58.406 flat angles P-C4'-P energy: -47.574 tors. eta vs tors. theta energy: -45.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -702.345111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.345111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.345111 (E_RNA) where: Base-Base interactions energy: -454.533 where: short stacking energy: -197.085 Base-Backbone interact. energy: 0.154 local terms energy: -247.966608 where: bonds (distance) C4'-P energy: -58.517 bonds (distance) P-C4' energy: -64.230 flat angles C4'-P-C4' energy: -61.466 flat angles P-C4'-P energy: -23.305 tors. eta vs tors. theta energy: -40.449 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: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -400.387346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.387346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.387346 (E_RNA) where: Base-Base interactions energy: -181.906 where: short stacking energy: -103.491 Base-Backbone interact. energy: 0.169 local terms energy: -218.649856 where: bonds (distance) C4'-P energy: -58.359 bonds (distance) P-C4' energy: -62.545 flat angles C4'-P-C4' energy: -49.496 flat angles P-C4'-P energy: -43.619 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -358.629942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.629942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.629942 (E_RNA) where: Base-Base interactions energy: -154.242 where: short stacking energy: -101.940 Base-Backbone interact. energy: -1.089 local terms energy: -203.298302 where: bonds (distance) C4'-P energy: -48.493 bonds (distance) P-C4' energy: -62.436 flat angles C4'-P-C4' energy: -64.628 flat angles P-C4'-P energy: -34.318 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: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1187.143051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.143051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.143051 (E_RNA) where: Base-Base interactions energy: -786.133 where: short stacking energy: -378.638 Base-Backbone interact. energy: 0.301 local terms energy: -401.310920 where: bonds (distance) C4'-P energy: -71.779 bonds (distance) P-C4' energy: -77.722 flat angles C4'-P-C4' energy: -78.316 flat angles P-C4'-P energy: -52.240 tors. eta vs tors. theta energy: -121.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1147.935663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.935663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.935663 (E_RNA) where: Base-Base interactions energy: -775.787 where: short stacking energy: -367.905 Base-Backbone interact. energy: -0.472 local terms energy: -371.676592 where: bonds (distance) C4'-P energy: -69.299 bonds (distance) P-C4' energy: -66.360 flat angles C4'-P-C4' energy: -82.353 flat angles P-C4'-P energy: -44.691 tors. eta vs tors. theta energy: -108.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1036.099771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.099771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.099771 (E_RNA) where: Base-Base interactions energy: -692.514 where: short stacking energy: -327.417 Base-Backbone interact. energy: -1.628 local terms energy: -341.958115 where: bonds (distance) C4'-P energy: -65.524 bonds (distance) P-C4' energy: -72.871 flat angles C4'-P-C4' energy: -73.565 flat angles P-C4'-P energy: -45.557 tors. eta vs tors. theta energy: -84.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -990.252679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.252679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.252679 (E_RNA) where: Base-Base interactions energy: -655.380 where: short stacking energy: -307.737 Base-Backbone interact. energy: 0.445 local terms energy: -335.317899 where: bonds (distance) C4'-P energy: -64.804 bonds (distance) P-C4' energy: -70.363 flat angles C4'-P-C4' energy: -63.990 flat angles P-C4'-P energy: -45.846 tors. eta vs tors. theta energy: -90.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -936.422547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.422547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.422547 (E_RNA) where: Base-Base interactions energy: -629.945 where: short stacking energy: -290.006 Base-Backbone interact. energy: -2.051 local terms energy: -304.426353 where: bonds (distance) C4'-P energy: -64.815 bonds (distance) P-C4' energy: -53.238 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -32.422 tors. eta vs tors. theta energy: -79.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -775.642122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.642122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.642122 (E_RNA) where: Base-Base interactions energy: -474.988 where: short stacking energy: -231.327 Base-Backbone interact. energy: -0.137 local terms energy: -300.516920 where: bonds (distance) C4'-P energy: -59.699 bonds (distance) P-C4' energy: -75.893 flat angles C4'-P-C4' energy: -70.890 flat angles P-C4'-P energy: -45.687 tors. eta vs tors. theta energy: -48.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -779.348875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.348875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.348875 (E_RNA) where: Base-Base interactions energy: -500.665 where: short stacking energy: -225.548 Base-Backbone interact. energy: -0.921 local terms energy: -277.762187 where: bonds (distance) C4'-P energy: -38.983 bonds (distance) P-C4' energy: -73.834 flat angles C4'-P-C4' energy: -62.309 flat angles P-C4'-P energy: -48.475 tors. eta vs tors. theta energy: -54.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -732.921759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.921759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.921759 (E_RNA) where: Base-Base interactions energy: -471.934 where: short stacking energy: -217.024 Base-Backbone interact. energy: -0.988 local terms energy: -259.999984 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -57.579 flat angles C4'-P-C4' energy: -62.027 flat angles P-C4'-P energy: -33.134 tors. eta vs tors. theta energy: -49.038 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: 9, replica: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -375.110218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.110218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.110218 (E_RNA) where: Base-Base interactions energy: -158.682 where: short stacking energy: -93.897 Base-Backbone interact. energy: 0.204 local terms energy: -216.631500 where: bonds (distance) C4'-P energy: -62.505 bonds (distance) P-C4' energy: -60.088 flat angles C4'-P-C4' energy: -58.045 flat angles P-C4'-P energy: -33.999 tors. eta vs tors. theta energy: -1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -313.185068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.185068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.185068 (E_RNA) where: Base-Base interactions energy: -124.797 where: short stacking energy: -95.958 Base-Backbone interact. energy: 0.643 local terms energy: -189.031723 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -54.654 flat angles C4'-P-C4' energy: -53.418 flat angles P-C4'-P energy: -20.587 tors. eta vs tors. theta energy: -3.299 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: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1169.116558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.116558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.116558 (E_RNA) where: Base-Base interactions energy: -769.414 where: short stacking energy: -378.795 Base-Backbone interact. energy: -0.016 local terms energy: -399.687387 where: bonds (distance) C4'-P energy: -58.556 bonds (distance) P-C4' energy: -72.083 flat angles C4'-P-C4' energy: -87.847 flat angles P-C4'-P energy: -61.833 tors. eta vs tors. theta energy: -119.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1157.811080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.811080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.811080 (E_RNA) where: Base-Base interactions energy: -781.986 where: short stacking energy: -383.766 Base-Backbone interact. energy: -0.255 local terms energy: -375.570191 where: bonds (distance) C4'-P energy: -68.433 bonds (distance) P-C4' energy: -69.110 flat angles C4'-P-C4' energy: -76.351 flat angles P-C4'-P energy: -49.549 tors. eta vs tors. theta energy: -112.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1050.637787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.637787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.637787 (E_RNA) where: Base-Base interactions energy: -694.466 where: short stacking energy: -317.128 Base-Backbone interact. energy: -2.187 local terms energy: -353.985435 where: bonds (distance) C4'-P energy: -68.604 bonds (distance) P-C4' energy: -60.047 flat angles C4'-P-C4' energy: -79.460 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: -93.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -990.701960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.701960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.701960 (E_RNA) where: Base-Base interactions energy: -664.253 where: short stacking energy: -293.927 Base-Backbone interact. energy: -0.863 local terms energy: -325.585236 where: bonds (distance) C4'-P energy: -61.970 bonds (distance) P-C4' energy: -65.740 flat angles C4'-P-C4' energy: -73.772 flat angles P-C4'-P energy: -48.503 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: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -908.977354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.977354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.977354 (E_RNA) where: Base-Base interactions energy: -609.910 where: short stacking energy: -313.445 Base-Backbone interact. energy: -1.033 local terms energy: -298.034974 where: bonds (distance) C4'-P energy: -47.298 bonds (distance) P-C4' energy: -53.023 flat angles C4'-P-C4' energy: -61.250 flat angles P-C4'-P energy: -47.730 tors. eta vs tors. theta energy: -88.735 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: 472 Temperature: 1.150000 Total energy: -785.498972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.498972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.498972 (E_RNA) where: Base-Base interactions energy: -497.005 where: short stacking energy: -229.675 Base-Backbone interact. energy: -0.537 local terms energy: -287.957045 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -70.176 flat angles C4'-P-C4' energy: -73.997 flat angles P-C4'-P energy: -37.409 tors. eta vs tors. theta energy: -51.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -743.301214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.301214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.301214 (E_RNA) where: Base-Base interactions energy: -470.128 where: short stacking energy: -229.420 Base-Backbone interact. energy: -1.746 local terms energy: -271.427604 where: bonds (distance) C4'-P energy: -56.326 bonds (distance) P-C4' energy: -59.497 flat angles C4'-P-C4' energy: -67.770 flat angles P-C4'-P energy: -35.632 tors. eta vs tors. theta energy: -52.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -699.755009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.755009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.755009 (E_RNA) where: Base-Base interactions energy: -448.199 where: short stacking energy: -211.914 Base-Backbone interact. energy: -1.105 local terms energy: -250.450817 where: bonds (distance) C4'-P energy: -47.312 bonds (distance) P-C4' energy: -71.718 flat angles C4'-P-C4' energy: -60.475 flat angles P-C4'-P energy: -29.115 tors. eta vs tors. theta energy: -41.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -331.111564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.111564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.111564 (E_RNA) where: Base-Base interactions energy: -104.168 where: short stacking energy: -101.109 Base-Backbone interact. energy: 2.191 local terms energy: -229.134715 where: bonds (distance) C4'-P energy: -63.877 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -59.113 flat angles P-C4'-P energy: -38.919 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -295.500759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.500759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.500759 (E_RNA) where: Base-Base interactions energy: -94.486 where: short stacking energy: -84.988 Base-Backbone interact. energy: 0.180 local terms energy: -201.194241 where: bonds (distance) C4'-P energy: -46.934 bonds (distance) P-C4' energy: -58.478 flat angles C4'-P-C4' energy: -57.386 flat angles P-C4'-P energy: -36.274 tors. eta vs tors. theta energy: -2.122 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: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1170.102381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.102381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.102381 (E_RNA) where: Base-Base interactions energy: -762.034 where: short stacking energy: -375.883 Base-Backbone interact. energy: -0.653 local terms energy: -407.414974 where: bonds (distance) C4'-P energy: -71.582 bonds (distance) P-C4' energy: -74.999 flat angles C4'-P-C4' energy: -86.268 flat angles P-C4'-P energy: -57.743 tors. eta vs tors. theta energy: -116.823 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: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1161.535406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.535406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.535406 (E_RNA) where: Base-Base interactions energy: -775.834 where: short stacking energy: -381.042 Base-Backbone interact. energy: -0.582 local terms energy: -385.118945 where: bonds (distance) C4'-P energy: -65.885 bonds (distance) P-C4' energy: -64.068 flat angles C4'-P-C4' energy: -79.869 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: -122.603 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: 473 Temperature: 1.000000 Total energy: -1032.611769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.611769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.611769 (E_RNA) where: Base-Base interactions energy: -697.398 where: short stacking energy: -331.165 Base-Backbone interact. energy: -0.249 local terms energy: -334.965098 where: bonds (distance) C4'-P energy: -68.852 bonds (distance) P-C4' energy: -63.179 flat angles C4'-P-C4' energy: -73.631 flat angles P-C4'-P energy: -44.296 tors. eta vs tors. theta energy: -85.007 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: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -974.286279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.286279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.286279 (E_RNA) where: Base-Base interactions energy: -652.609 where: short stacking energy: -301.092 Base-Backbone interact. energy: 1.041 local terms energy: -322.717845 where: bonds (distance) C4'-P energy: -57.355 bonds (distance) P-C4' energy: -67.187 flat angles C4'-P-C4' energy: -69.634 flat angles P-C4'-P energy: -52.256 tors. eta vs tors. theta energy: -76.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -911.770560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.770560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.770560 (E_RNA) where: Base-Base interactions energy: -617.039 where: short stacking energy: -281.126 Base-Backbone interact. energy: -1.660 local terms energy: -293.071262 where: bonds (distance) C4'-P energy: -50.533 bonds (distance) P-C4' energy: -57.649 flat angles C4'-P-C4' energy: -70.407 flat angles P-C4'-P energy: -40.554 tors. eta vs tors. theta energy: -73.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -778.332104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.332104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.332104 (E_RNA) where: Base-Base interactions energy: -496.199 where: short stacking energy: -244.236 Base-Backbone interact. energy: 0.437 local terms energy: -282.570910 where: bonds (distance) C4'-P energy: -46.851 bonds (distance) P-C4' energy: -57.663 flat angles C4'-P-C4' energy: -65.293 flat angles P-C4'-P energy: -52.674 tors. eta vs tors. theta energy: -60.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -698.977240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.977240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.977240 (E_RNA) where: Base-Base interactions energy: -438.900 where: short stacking energy: -190.533 Base-Backbone interact. energy: 0.249 local terms energy: -260.326580 where: bonds (distance) C4'-P energy: -70.553 bonds (distance) P-C4' energy: -60.368 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -28.672 tors. eta vs tors. theta energy: -42.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -683.253823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.253823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.253823 (E_RNA) where: Base-Base interactions energy: -413.470 where: short stacking energy: -206.860 Base-Backbone interact. energy: 3.878 local terms energy: -273.662199 where: bonds (distance) C4'-P energy: -57.935 bonds (distance) P-C4' energy: -71.018 flat angles C4'-P-C4' energy: -69.606 flat angles P-C4'-P energy: -35.525 tors. eta vs tors. theta energy: -39.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -326.755088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.755088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.755088 (E_RNA) where: Base-Base interactions energy: -117.131 where: short stacking energy: -106.379 Base-Backbone interact. energy: -2.311 local terms energy: -207.313188 where: bonds (distance) C4'-P energy: -58.784 bonds (distance) P-C4' energy: -65.154 flat angles C4'-P-C4' energy: -47.860 flat angles P-C4'-P energy: -30.742 tors. eta vs tors. theta energy: -4.773 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: 2 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -344.613628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.613628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.613628 (E_RNA) where: Base-Base interactions energy: -172.530 where: short stacking energy: -101.489 Base-Backbone interact. energy: -2.478 local terms energy: -169.605102 where: bonds (distance) C4'-P energy: -46.476 bonds (distance) P-C4' energy: -47.249 flat angles C4'-P-C4' energy: -41.728 flat angles P-C4'-P energy: -26.816 tors. eta vs tors. theta energy: -7.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1168.756395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.756395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.756395 (E_RNA) where: Base-Base interactions energy: -780.785 where: short stacking energy: -377.157 Base-Backbone interact. energy: -0.770 local terms energy: -387.202060 where: bonds (distance) C4'-P energy: -72.655 bonds (distance) P-C4' energy: -64.609 flat angles C4'-P-C4' energy: -79.578 flat angles P-C4'-P energy: -57.823 tors. eta vs tors. theta energy: -112.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1165.726424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.726424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.726424 (E_RNA) where: Base-Base interactions energy: -780.721 where: short stacking energy: -373.451 Base-Backbone interact. energy: -0.133 local terms energy: -384.872549 where: bonds (distance) C4'-P energy: -58.467 bonds (distance) P-C4' energy: -70.562 flat angles C4'-P-C4' energy: -86.231 flat angles P-C4'-P energy: -53.671 tors. eta vs tors. theta energy: -115.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1044.691473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.691473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.691473 (E_RNA) where: Base-Base interactions energy: -686.651 where: short stacking energy: -328.869 Base-Backbone interact. energy: -0.314 local terms energy: -357.727040 where: bonds (distance) C4'-P energy: -70.034 bonds (distance) P-C4' energy: -60.889 flat angles C4'-P-C4' energy: -81.674 flat angles P-C4'-P energy: -48.479 tors. eta vs tors. theta energy: -96.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -995.816694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.816694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.816694 (E_RNA) where: Base-Base interactions energy: -663.339 where: short stacking energy: -302.410 Base-Backbone interact. energy: -2.485 local terms energy: -329.992163 where: bonds (distance) C4'-P energy: -62.856 bonds (distance) P-C4' energy: -67.431 flat angles C4'-P-C4' energy: -75.768 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: -81.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -898.657765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.657765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.657765 (E_RNA) where: Base-Base interactions energy: -593.233 where: short stacking energy: -269.771 Base-Backbone interact. energy: 2.260 local terms energy: -307.684861 where: bonds (distance) C4'-P energy: -61.617 bonds (distance) P-C4' energy: -63.397 flat angles C4'-P-C4' energy: -63.246 flat angles P-C4'-P energy: -55.115 tors. eta vs tors. theta energy: -64.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -804.417568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.417568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.417568 (E_RNA) where: Base-Base interactions energy: -509.697 where: short stacking energy: -262.724 Base-Backbone interact. energy: 0.675 local terms energy: -295.395809 where: bonds (distance) C4'-P energy: -64.205 bonds (distance) P-C4' energy: -50.704 flat angles C4'-P-C4' energy: -62.747 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -70.987 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: 8 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -709.417044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.417044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.417044 (E_RNA) where: Base-Base interactions energy: -438.496 where: short stacking energy: -210.737 Base-Backbone interact. energy: 2.352 local terms energy: -273.273421 where: bonds (distance) C4'-P energy: -63.512 bonds (distance) P-C4' energy: -57.259 flat angles C4'-P-C4' energy: -59.556 flat angles P-C4'-P energy: -40.431 tors. eta vs tors. theta energy: -52.516 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: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -590.490840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.490840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.490840 (E_RNA) where: Base-Base interactions energy: -331.038 where: short stacking energy: -176.774 Base-Backbone interact. energy: -1.487 local terms energy: -257.966210 where: bonds (distance) C4'-P energy: -61.347 bonds (distance) P-C4' energy: -69.406 flat angles C4'-P-C4' energy: -61.076 flat angles P-C4'-P energy: -37.244 tors. eta vs tors. theta energy: -28.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -417.820912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.820912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.820912 (E_RNA) where: Base-Base interactions energy: -214.559 where: short stacking energy: -121.907 Base-Backbone interact. energy: 0.400 local terms energy: -203.662381 where: bonds (distance) C4'-P energy: -60.435 bonds (distance) P-C4' energy: -57.150 flat angles C4'-P-C4' energy: -47.197 flat angles P-C4'-P energy: -28.752 tors. eta vs tors. theta energy: -10.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -305.635530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.635530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.635530 (E_RNA) where: Base-Base interactions energy: -102.445 where: short stacking energy: -101.273 Base-Backbone interact. energy: 0.659 local terms energy: -203.849574 where: bonds (distance) C4'-P energy: -51.017 bonds (distance) P-C4' energy: -63.588 flat angles C4'-P-C4' energy: -55.561 flat angles P-C4'-P energy: -26.094 tors. eta vs tors. theta energy: -7.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1157.915494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.915494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.915494 (E_RNA) where: Base-Base interactions energy: -777.547 where: short stacking energy: -369.021 Base-Backbone interact. energy: -1.008 local terms energy: -379.361073 where: bonds (distance) C4'-P energy: -66.720 bonds (distance) P-C4' energy: -72.906 flat angles C4'-P-C4' energy: -82.718 flat angles P-C4'-P energy: -49.713 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: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1175.814989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.814989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.814989 (E_RNA) where: Base-Base interactions energy: -780.455 where: short stacking energy: -382.523 Base-Backbone interact. energy: -1.221 local terms energy: -394.139116 where: bonds (distance) C4'-P energy: -61.726 bonds (distance) P-C4' energy: -73.307 flat angles C4'-P-C4' energy: -84.276 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: -121.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1048.782260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.782260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.782260 (E_RNA) where: Base-Base interactions energy: -694.166 where: short stacking energy: -318.205 Base-Backbone interact. energy: -0.735 local terms energy: -353.881344 where: bonds (distance) C4'-P energy: -72.899 bonds (distance) P-C4' energy: -60.709 flat angles C4'-P-C4' energy: -75.698 flat angles P-C4'-P energy: -53.055 tors. eta vs tors. theta energy: -91.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1025.793674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.793674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.793674 (E_RNA) where: Base-Base interactions energy: -686.802 where: short stacking energy: -315.765 Base-Backbone interact. energy: 3.179 local terms energy: -342.170330 where: bonds (distance) C4'-P energy: -61.884 bonds (distance) P-C4' energy: -65.448 flat angles C4'-P-C4' energy: -70.821 flat angles P-C4'-P energy: -51.929 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: 5, replica: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -957.278569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.278569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.278569 (E_RNA) where: Base-Base interactions energy: -632.676 where: short stacking energy: -288.848 Base-Backbone interact. energy: -1.053 local terms energy: -323.550066 where: bonds (distance) C4'-P energy: -65.256 bonds (distance) P-C4' energy: -62.220 flat angles C4'-P-C4' energy: -63.876 flat angles P-C4'-P energy: -45.997 tors. eta vs tors. theta energy: -86.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -797.430287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.430287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.430287 (E_RNA) where: Base-Base interactions energy: -503.623 where: short stacking energy: -249.807 Base-Backbone interact. energy: -0.618 local terms energy: -293.189872 where: bonds (distance) C4'-P energy: -66.402 bonds (distance) P-C4' energy: -66.597 flat angles C4'-P-C4' energy: -56.458 flat angles P-C4'-P energy: -36.355 tors. eta vs tors. theta energy: -67.377 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: 8 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -706.767047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.767047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.767047 (E_RNA) where: Base-Base interactions energy: -452.111 where: short stacking energy: -206.698 Base-Backbone interact. energy: 0.064 local terms energy: -254.719612 where: bonds (distance) C4'-P energy: -62.437 bonds (distance) P-C4' energy: -55.394 flat angles C4'-P-C4' energy: -62.404 flat angles P-C4'-P energy: -37.200 tors. eta vs tors. theta energy: -37.285 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: 8, replica: 5 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -619.696866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.696866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.696866 (E_RNA) where: Base-Base interactions energy: -366.328 where: short stacking energy: -180.778 Base-Backbone interact. energy: -0.723 local terms energy: -252.645109 where: bonds (distance) C4'-P energy: -59.113 bonds (distance) P-C4' energy: -67.602 flat angles C4'-P-C4' energy: -49.499 flat angles P-C4'-P energy: -42.638 tors. eta vs tors. theta energy: -33.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -431.948355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.948355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.948355 (E_RNA) where: Base-Base interactions energy: -216.646 where: short stacking energy: -130.439 Base-Backbone interact. energy: 0.121 local terms energy: -215.422924 where: bonds (distance) C4'-P energy: -64.964 bonds (distance) P-C4' energy: -57.605 flat angles C4'-P-C4' energy: -54.588 flat angles P-C4'-P energy: -28.503 tors. eta vs tors. theta energy: -9.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -295.278223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.278223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.278223 (E_RNA) where: Base-Base interactions energy: -93.911 where: short stacking energy: -65.136 Base-Backbone interact. energy: -2.065 local terms energy: -199.302057 where: bonds (distance) C4'-P energy: -67.189 bonds (distance) P-C4' energy: -51.386 flat angles C4'-P-C4' energy: -51.294 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: 12.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1180.897391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.897391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.897391 (E_RNA) where: Base-Base interactions energy: -785.197 where: short stacking energy: -380.720 Base-Backbone interact. energy: -1.230 local terms energy: -394.470408 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -65.277 flat angles C4'-P-C4' energy: -74.429 flat angles P-C4'-P energy: -62.478 tors. eta vs tors. theta energy: -122.233 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: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1165.105746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.105746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.105746 (E_RNA) where: Base-Base interactions energy: -774.992 where: short stacking energy: -373.728 Base-Backbone interact. energy: 0.013 local terms energy: -390.126474 where: bonds (distance) C4'-P energy: -64.462 bonds (distance) P-C4' energy: -72.503 flat angles C4'-P-C4' energy: -81.531 flat angles P-C4'-P energy: -56.065 tors. eta vs tors. theta energy: -115.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1027.381637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.381637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.381637 (E_RNA) where: Base-Base interactions energy: -688.756 where: short stacking energy: -322.271 Base-Backbone interact. energy: 0.914 local terms energy: -339.539504 where: bonds (distance) C4'-P energy: -69.490 bonds (distance) P-C4' energy: -56.264 flat angles C4'-P-C4' energy: -72.320 flat angles P-C4'-P energy: -50.851 tors. eta vs tors. theta energy: -90.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1038.723349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.723349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.723349 (E_RNA) where: Base-Base interactions energy: -700.500 where: short stacking energy: -322.327 Base-Backbone interact. energy: -0.030 local terms energy: -338.192720 where: bonds (distance) C4'-P energy: -57.483 bonds (distance) P-C4' energy: -74.769 flat angles C4'-P-C4' energy: -66.759 flat angles P-C4'-P energy: -43.535 tors. eta vs tors. theta energy: -95.647 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: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -947.800275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.800275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.800275 (E_RNA) where: Base-Base interactions energy: -594.691 where: short stacking energy: -310.259 Base-Backbone interact. energy: -1.026 local terms energy: -352.083473 where: bonds (distance) C4'-P energy: -68.033 bonds (distance) P-C4' energy: -62.666 flat angles C4'-P-C4' energy: -81.464 flat angles P-C4'-P energy: -47.657 tors. eta vs tors. theta energy: -92.263 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: 476 Temperature: 1.150000 Total energy: -764.199246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.199246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.199246 (E_RNA) where: Base-Base interactions energy: -458.551 where: short stacking energy: -245.426 Base-Backbone interact. energy: -0.461 local terms energy: -305.188150 where: bonds (distance) C4'-P energy: -63.328 bonds (distance) P-C4' energy: -56.455 flat angles C4'-P-C4' energy: -70.407 flat angles P-C4'-P energy: -48.930 tors. eta vs tors. theta energy: -66.068 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: 8 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -751.499486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.499486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.499486 (E_RNA) where: Base-Base interactions energy: -480.802 where: short stacking energy: -220.109 Base-Backbone interact. energy: 0.814 local terms energy: -271.510860 where: bonds (distance) C4'-P energy: -55.020 bonds (distance) P-C4' energy: -57.608 flat angles C4'-P-C4' energy: -59.414 flat angles P-C4'-P energy: -42.688 tors. eta vs tors. theta energy: -56.781 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: 5 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -636.050879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.050879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.050879 (E_RNA) where: Base-Base interactions energy: -389.107 where: short stacking energy: -202.927 Base-Backbone interact. energy: 1.650 local terms energy: -248.594503 where: bonds (distance) C4'-P energy: -50.211 bonds (distance) P-C4' energy: -56.446 flat angles C4'-P-C4' energy: -70.093 flat angles P-C4'-P energy: -23.338 tors. eta vs tors. theta energy: -48.507 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: 2 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -417.561327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.561327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.561327 (E_RNA) where: Base-Base interactions energy: -205.350 where: short stacking energy: -126.414 Base-Backbone interact. energy: 0.324 local terms energy: -212.535133 where: bonds (distance) C4'-P energy: -59.098 bonds (distance) P-C4' energy: -57.853 flat angles C4'-P-C4' energy: -50.380 flat angles P-C4'-P energy: -33.487 tors. eta vs tors. theta energy: -11.718 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: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -275.795297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.795297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.795297 (E_RNA) where: Base-Base interactions energy: -100.769 where: short stacking energy: -79.292 Base-Backbone interact. energy: 2.084 local terms energy: -177.110059 where: bonds (distance) C4'-P energy: -74.573 bonds (distance) P-C4' energy: -66.938 flat angles C4'-P-C4' energy: -39.331 flat angles P-C4'-P energy: -14.005 tors. eta vs tors. theta energy: 17.737 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: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1155.545915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.545915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.545915 (E_RNA) where: Base-Base interactions energy: -770.892 where: short stacking energy: -382.050 Base-Backbone interact. energy: 1.085 local terms energy: -385.738818 where: bonds (distance) C4'-P energy: -64.267 bonds (distance) P-C4' energy: -72.992 flat angles C4'-P-C4' energy: -82.876 flat angles P-C4'-P energy: -45.782 tors. eta vs tors. theta energy: -119.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1182.825305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.825305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.825305 (E_RNA) where: Base-Base interactions energy: -799.356 where: short stacking energy: -379.958 Base-Backbone interact. energy: -1.394 local terms energy: -382.074995 where: bonds (distance) C4'-P energy: -61.226 bonds (distance) P-C4' energy: -73.251 flat angles C4'-P-C4' energy: -78.624 flat angles P-C4'-P energy: -53.175 tors. eta vs tors. theta energy: -115.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1026.602705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.602705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.602705 (E_RNA) where: Base-Base interactions energy: -681.918 where: short stacking energy: -322.439 Base-Backbone interact. energy: -0.524 local terms energy: -344.160751 where: bonds (distance) C4'-P energy: -71.070 bonds (distance) P-C4' energy: -73.820 flat angles C4'-P-C4' energy: -68.056 flat angles P-C4'-P energy: -43.001 tors. eta vs tors. theta energy: -88.214 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: 4 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1036.008034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.008034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.008034 (E_RNA) where: Base-Base interactions energy: -713.248 where: short stacking energy: -333.486 Base-Backbone interact. energy: -0.335 local terms energy: -322.424615 where: bonds (distance) C4'-P energy: -55.893 bonds (distance) P-C4' energy: -63.475 flat angles C4'-P-C4' energy: -64.993 flat angles P-C4'-P energy: -46.122 tors. eta vs tors. theta energy: -91.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -933.777778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.777778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.777778 (E_RNA) where: Base-Base interactions energy: -598.198 where: short stacking energy: -286.692 Base-Backbone interact. energy: 2.927 local terms energy: -338.506315 where: bonds (distance) C4'-P energy: -66.983 bonds (distance) P-C4' energy: -73.489 flat angles C4'-P-C4' energy: -66.512 flat angles P-C4'-P energy: -49.640 tors. eta vs tors. theta energy: -81.883 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: 6, replica: 8 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -779.534304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.534304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.534304 (E_RNA) where: Base-Base interactions energy: -491.368 where: short stacking energy: -244.377 Base-Backbone interact. energy: -0.023 local terms energy: -288.143363 where: bonds (distance) C4'-P energy: -57.879 bonds (distance) P-C4' energy: -63.046 flat angles C4'-P-C4' energy: -67.913 flat angles P-C4'-P energy: -41.934 tors. eta vs tors. theta energy: -57.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -723.339150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.339150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.339150 (E_RNA) where: Base-Base interactions energy: -449.433 where: short stacking energy: -238.488 Base-Backbone interact. energy: 0.541 local terms energy: -274.446537 where: bonds (distance) C4'-P energy: -46.573 bonds (distance) P-C4' energy: -68.282 flat angles C4'-P-C4' energy: -64.368 flat angles P-C4'-P energy: -45.029 tors. eta vs tors. theta energy: -50.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -623.210673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.210673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.210673 (E_RNA) where: Base-Base interactions energy: -373.887 where: short stacking energy: -174.047 Base-Backbone interact. energy: -0.286 local terms energy: -249.037268 where: bonds (distance) C4'-P energy: -69.827 bonds (distance) P-C4' energy: -60.399 flat angles C4'-P-C4' energy: -58.940 flat angles P-C4'-P energy: -36.508 tors. eta vs tors. theta energy: -23.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -403.714262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.714262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.714262 (E_RNA) where: Base-Base interactions energy: -196.996 where: short stacking energy: -116.201 Base-Backbone interact. energy: -2.146 local terms energy: -204.571987 where: bonds (distance) C4'-P energy: -58.530 bonds (distance) P-C4' energy: -59.822 flat angles C4'-P-C4' energy: -62.521 flat angles P-C4'-P energy: -24.205 tors. eta vs tors. theta energy: 0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -287.295313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.295313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.295313 (E_RNA) where: Base-Base interactions energy: -87.397 where: short stacking energy: -78.196 Base-Backbone interact. energy: -0.180 local terms energy: -199.718447 where: bonds (distance) C4'-P energy: -56.665 bonds (distance) P-C4' energy: -65.794 flat angles C4'-P-C4' energy: -53.155 flat angles P-C4'-P energy: -33.299 tors. eta vs tors. theta energy: 9.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1191.003578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.003578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.003578 (E_RNA) where: Base-Base interactions energy: -799.078 where: short stacking energy: -381.304 Base-Backbone interact. energy: -0.460 local terms energy: -391.465823 where: bonds (distance) C4'-P energy: -66.358 bonds (distance) P-C4' energy: -72.231 flat angles C4'-P-C4' energy: -83.362 flat angles P-C4'-P energy: -55.168 tors. eta vs tors. theta energy: -114.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1136.506095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.506095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.506095 (E_RNA) where: Base-Base interactions energy: -765.680 where: short stacking energy: -377.287 Base-Backbone interact. energy: -0.437 local terms energy: -370.389128 where: bonds (distance) C4'-P energy: -59.630 bonds (distance) P-C4' energy: -68.297 flat angles C4'-P-C4' energy: -75.946 flat angles P-C4'-P energy: -53.141 tors. eta vs tors. theta energy: -113.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1036.161698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.161698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.161698 (E_RNA) where: Base-Base interactions energy: -702.869 where: short stacking energy: -314.021 Base-Backbone interact. energy: -0.737 local terms energy: -332.555522 where: bonds (distance) C4'-P energy: -68.573 bonds (distance) P-C4' energy: -68.134 flat angles C4'-P-C4' energy: -70.477 flat angles P-C4'-P energy: -41.332 tors. eta vs tors. theta energy: -84.039 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: 4 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -998.215309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.215309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.215309 (E_RNA) where: Base-Base interactions energy: -665.352 where: short stacking energy: -292.813 Base-Backbone interact. energy: -0.064 local terms energy: -332.799065 where: bonds (distance) C4'-P energy: -58.476 bonds (distance) P-C4' energy: -67.633 flat angles C4'-P-C4' energy: -73.621 flat angles P-C4'-P energy: -53.853 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: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -911.138237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.138237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.138237 (E_RNA) where: Base-Base interactions energy: -590.456 where: short stacking energy: -284.714 Base-Backbone interact. energy: -0.528 local terms energy: -320.154106 where: bonds (distance) C4'-P energy: -66.061 bonds (distance) P-C4' energy: -68.136 flat angles C4'-P-C4' energy: -76.430 flat angles P-C4'-P energy: -35.073 tors. eta vs tors. theta energy: -74.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -783.337246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.337246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.337246 (E_RNA) where: Base-Base interactions energy: -497.286 where: short stacking energy: -248.724 Base-Backbone interact. energy: -0.764 local terms energy: -285.286900 where: bonds (distance) C4'-P energy: -58.073 bonds (distance) P-C4' energy: -68.853 flat angles C4'-P-C4' energy: -56.810 flat angles P-C4'-P energy: -38.673 tors. eta vs tors. theta energy: -62.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -735.772351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.772351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.772351 (E_RNA) where: Base-Base interactions energy: -453.740 where: short stacking energy: -225.671 Base-Backbone interact. energy: -0.134 local terms energy: -281.898105 where: bonds (distance) C4'-P energy: -60.200 bonds (distance) P-C4' energy: -61.003 flat angles C4'-P-C4' energy: -60.446 flat angles P-C4'-P energy: -46.338 tors. eta vs tors. theta energy: -53.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -624.523961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.523961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.523961 (E_RNA) where: Base-Base interactions energy: -398.188 where: short stacking energy: -188.041 Base-Backbone interact. energy: -2.277 local terms energy: -224.059407 where: bonds (distance) C4'-P energy: -45.834 bonds (distance) P-C4' energy: -52.902 flat angles C4'-P-C4' energy: -54.551 flat angles P-C4'-P energy: -30.356 tors. eta vs tors. theta energy: -40.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -435.337793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.337793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.337793 (E_RNA) where: Base-Base interactions energy: -228.185 where: short stacking energy: -130.443 Base-Backbone interact. energy: -0.359 local terms energy: -206.793380 where: bonds (distance) C4'-P energy: -42.313 bonds (distance) P-C4' energy: -59.545 flat angles C4'-P-C4' energy: -52.097 flat angles P-C4'-P energy: -31.674 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: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -289.268283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.268283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.268283 (E_RNA) where: Base-Base interactions energy: -82.919 where: short stacking energy: -71.902 Base-Backbone interact. energy: -1.631 local terms energy: -204.718844 where: bonds (distance) C4'-P energy: -61.081 bonds (distance) P-C4' energy: -53.308 flat angles C4'-P-C4' energy: -55.741 flat angles P-C4'-P energy: -35.545 tors. eta vs tors. theta energy: 0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1187.614143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.614143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.614143 (E_RNA) where: Base-Base interactions energy: -790.080 where: short stacking energy: -372.212 Base-Backbone interact. energy: -0.267 local terms energy: -397.267645 where: bonds (distance) C4'-P energy: -74.555 bonds (distance) P-C4' energy: -73.035 flat angles C4'-P-C4' energy: -77.812 flat angles P-C4'-P energy: -52.742 tors. eta vs tors. theta energy: -119.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1134.622798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.622798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.622798 (E_RNA) where: Base-Base interactions energy: -757.744 where: short stacking energy: -349.760 Base-Backbone interact. energy: -1.301 local terms energy: -375.577172 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -71.603 flat angles C4'-P-C4' energy: -77.093 flat angles P-C4'-P energy: -46.638 tors. eta vs tors. theta energy: -109.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1037.943898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.943898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.943898 (E_RNA) where: Base-Base interactions energy: -698.754 where: short stacking energy: -317.770 Base-Backbone interact. energy: 0.144 local terms energy: -339.334692 where: bonds (distance) C4'-P energy: -65.609 bonds (distance) P-C4' energy: -74.636 flat angles C4'-P-C4' energy: -72.554 flat angles P-C4'-P energy: -48.862 tors. eta vs tors. theta energy: -77.673 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: 4 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1041.347257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.347257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.347257 (E_RNA) where: Base-Base interactions energy: -699.666 where: short stacking energy: -317.384 Base-Backbone interact. energy: -2.110 local terms energy: -339.571538 where: bonds (distance) C4'-P energy: -62.380 bonds (distance) P-C4' energy: -68.658 flat angles C4'-P-C4' energy: -72.316 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -87.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -946.070912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.070912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.070912 (E_RNA) where: Base-Base interactions energy: -633.056 where: short stacking energy: -298.551 Base-Backbone interact. energy: 0.743 local terms energy: -313.757988 where: bonds (distance) C4'-P energy: -43.263 bonds (distance) P-C4' energy: -64.863 flat angles C4'-P-C4' energy: -74.861 flat angles P-C4'-P energy: -51.170 tors. eta vs tors. theta energy: -79.600 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: 8 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -796.144033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.144033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.144033 (E_RNA) where: Base-Base interactions energy: -521.307 where: short stacking energy: -239.020 Base-Backbone interact. energy: 0.319 local terms energy: -275.156528 where: bonds (distance) C4'-P energy: -53.832 bonds (distance) P-C4' energy: -47.448 flat angles C4'-P-C4' energy: -67.044 flat angles P-C4'-P energy: -34.959 tors. eta vs tors. theta energy: -71.874 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: 479 Temperature: 1.200000 Total energy: -740.515661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.515661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.515661 (E_RNA) where: Base-Base interactions energy: -449.236 where: short stacking energy: -219.594 Base-Backbone interact. energy: -0.688 local terms energy: -290.591373 where: bonds (distance) C4'-P energy: -59.587 bonds (distance) P-C4' energy: -72.176 flat angles C4'-P-C4' energy: -68.000 flat angles P-C4'-P energy: -36.590 tors. eta vs tors. theta energy: -54.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -654.631927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.631927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.631927 (E_RNA) where: Base-Base interactions energy: -398.204 where: short stacking energy: -202.700 Base-Backbone interact. energy: -2.795 local terms energy: -253.633482 where: bonds (distance) C4'-P energy: -61.873 bonds (distance) P-C4' energy: -60.175 flat angles C4'-P-C4' energy: -54.797 flat angles P-C4'-P energy: -27.693 tors. eta vs tors. theta energy: -49.094 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: 2 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -408.224425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.224425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.224425 (E_RNA) where: Base-Base interactions energy: -204.497 where: short stacking energy: -115.441 Base-Backbone interact. energy: 2.102 local terms energy: -205.829360 where: bonds (distance) C4'-P energy: -48.996 bonds (distance) P-C4' energy: -66.639 flat angles C4'-P-C4' energy: -63.608 flat angles P-C4'-P energy: -25.288 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: 10, replica: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -286.035750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.035750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.035750 (E_RNA) where: Base-Base interactions energy: -126.967 where: short stacking energy: -110.135 Base-Backbone interact. energy: -1.662 local terms energy: -157.406237 where: bonds (distance) C4'-P energy: -60.439 bonds (distance) P-C4' energy: -40.813 flat angles C4'-P-C4' energy: -27.014 flat angles P-C4'-P energy: -34.819 tors. eta vs tors. theta energy: 5.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1182.130963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.130963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.130963 (E_RNA) where: Base-Base interactions energy: -785.635 where: short stacking energy: -362.317 Base-Backbone interact. energy: -2.019 local terms energy: -394.477253 where: bonds (distance) C4'-P energy: -74.493 bonds (distance) P-C4' energy: -73.058 flat angles C4'-P-C4' energy: -83.570 flat angles P-C4'-P energy: -54.620 tors. eta vs tors. theta energy: -108.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1122.200096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.200096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.200096 (E_RNA) where: Base-Base interactions energy: -737.639 where: short stacking energy: -351.502 Base-Backbone interact. energy: 0.588 local terms energy: -385.148831 where: bonds (distance) C4'-P energy: -70.901 bonds (distance) P-C4' energy: -79.192 flat angles C4'-P-C4' energy: -80.700 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -105.387 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: 480 Temperature: 1.000000 Total energy: -1025.505074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.505074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.505074 (E_RNA) where: Base-Base interactions energy: -707.369 where: short stacking energy: -306.117 Base-Backbone interact. energy: -1.092 local terms energy: -317.043573 where: bonds (distance) C4'-P energy: -64.539 bonds (distance) P-C4' energy: -63.212 flat angles C4'-P-C4' energy: -70.415 flat angles P-C4'-P energy: -41.090 tors. eta vs tors. theta energy: -77.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1008.586740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.586740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.586740 (E_RNA) where: Base-Base interactions energy: -666.735 where: short stacking energy: -300.825 Base-Backbone interact. energy: 0.019 local terms energy: -341.869966 where: bonds (distance) C4'-P energy: -70.351 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -77.405 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -84.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -964.903511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.903511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.903511 (E_RNA) where: Base-Base interactions energy: -641.441 where: short stacking energy: -304.647 Base-Backbone interact. energy: -0.459 local terms energy: -323.004266 where: bonds (distance) C4'-P energy: -62.442 bonds (distance) P-C4' energy: -54.495 flat angles C4'-P-C4' energy: -80.817 flat angles P-C4'-P energy: -40.904 tors. eta vs tors. theta energy: -84.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -796.086085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.086085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.086085 (E_RNA) where: Base-Base interactions energy: -501.116 where: short stacking energy: -254.985 Base-Backbone interact. energy: -0.371 local terms energy: -294.599157 where: bonds (distance) C4'-P energy: -53.330 bonds (distance) P-C4' energy: -63.217 flat angles C4'-P-C4' energy: -72.868 flat angles P-C4'-P energy: -40.404 tors. eta vs tors. theta energy: -64.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -745.461338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.461338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.461338 (E_RNA) where: Base-Base interactions energy: -468.600 where: short stacking energy: -239.595 Base-Backbone interact. energy: 0.136 local terms energy: -276.996819 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -54.676 flat angles C4'-P-C4' energy: -66.862 flat angles P-C4'-P energy: -32.871 tors. eta vs tors. theta energy: -62.246 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: 5 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -583.089464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.089464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.089464 (E_RNA) where: Base-Base interactions energy: -333.221 where: short stacking energy: -172.643 Base-Backbone interact. energy: -1.336 local terms energy: -248.531875 where: bonds (distance) C4'-P energy: -55.500 bonds (distance) P-C4' energy: -52.084 flat angles C4'-P-C4' energy: -66.791 flat angles P-C4'-P energy: -34.122 tors. eta vs tors. theta energy: -40.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -420.023496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.023496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.023496 (E_RNA) where: Base-Base interactions energy: -217.031 where: short stacking energy: -111.249 Base-Backbone interact. energy: 2.410 local terms energy: -205.402599 where: bonds (distance) C4'-P energy: -53.802 bonds (distance) P-C4' energy: -54.820 flat angles C4'-P-C4' energy: -54.944 flat angles P-C4'-P energy: -30.832 tors. eta vs tors. theta energy: -11.005 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: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -300.053755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.053755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.053755 (E_RNA) where: Base-Base interactions energy: -116.540 where: short stacking energy: -95.361 Base-Backbone interact. energy: -0.892 local terms energy: -182.621664 where: bonds (distance) C4'-P energy: -45.221 bonds (distance) P-C4' energy: -52.102 flat angles C4'-P-C4' energy: -55.412 flat angles P-C4'-P energy: -30.240 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1187.402879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.402879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.402879 (E_RNA) where: Base-Base interactions energy: -783.683 where: short stacking energy: -373.892 Base-Backbone interact. energy: -1.608 local terms energy: -402.111710 where: bonds (distance) C4'-P energy: -71.996 bonds (distance) P-C4' energy: -73.077 flat angles C4'-P-C4' energy: -83.175 flat angles P-C4'-P energy: -56.901 tors. eta vs tors. theta energy: -116.963 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: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1125.655038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.655038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.655038 (E_RNA) where: Base-Base interactions energy: -753.010 where: short stacking energy: -361.038 Base-Backbone interact. energy: -0.565 local terms energy: -372.079736 where: bonds (distance) C4'-P energy: -66.373 bonds (distance) P-C4' energy: -59.364 flat angles C4'-P-C4' energy: -79.851 flat angles P-C4'-P energy: -56.799 tors. eta vs tors. theta energy: -109.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1030.544155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.544155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.544155 (E_RNA) where: Base-Base interactions energy: -696.642 where: short stacking energy: -318.060 Base-Backbone interact. energy: -0.430 local terms energy: -333.472205 where: bonds (distance) C4'-P energy: -59.035 bonds (distance) P-C4' energy: -62.568 flat angles C4'-P-C4' energy: -79.130 flat angles P-C4'-P energy: -51.855 tors. eta vs tors. theta energy: -80.885 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: 1 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1018.432576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.432576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.432576 (E_RNA) where: Base-Base interactions energy: -675.808 where: short stacking energy: -308.649 Base-Backbone interact. energy: -1.029 local terms energy: -341.595070 where: bonds (distance) C4'-P energy: -63.976 bonds (distance) P-C4' energy: -64.107 flat angles C4'-P-C4' energy: -69.645 flat angles P-C4'-P energy: -54.830 tors. eta vs tors. theta energy: -89.037 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: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -916.102050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.102050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.102050 (E_RNA) where: Base-Base interactions energy: -617.145 where: short stacking energy: -281.986 Base-Backbone interact. energy: -2.144 local terms energy: -296.812582 where: bonds (distance) C4'-P energy: -57.804 bonds (distance) P-C4' energy: -64.370 flat angles C4'-P-C4' energy: -69.136 flat angles P-C4'-P energy: -34.447 tors. eta vs tors. theta energy: -71.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -793.251118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.251118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.251118 (E_RNA) where: Base-Base interactions energy: -503.384 where: short stacking energy: -248.288 Base-Backbone interact. energy: -0.352 local terms energy: -289.515397 where: bonds (distance) C4'-P energy: -59.607 bonds (distance) P-C4' energy: -63.836 flat angles C4'-P-C4' energy: -69.319 flat angles P-C4'-P energy: -37.027 tors. eta vs tors. theta energy: -59.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -747.133698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.133698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.133698 (E_RNA) where: Base-Base interactions energy: -469.352 where: short stacking energy: -234.802 Base-Backbone interact. energy: 1.317 local terms energy: -279.098488 where: bonds (distance) C4'-P energy: -63.545 bonds (distance) P-C4' energy: -65.814 flat angles C4'-P-C4' energy: -57.674 flat angles P-C4'-P energy: -33.893 tors. eta vs tors. theta energy: -58.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -563.878626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.878626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.878626 (E_RNA) where: Base-Base interactions energy: -348.800 where: short stacking energy: -183.846 Base-Backbone interact. energy: -0.563 local terms energy: -214.514949 where: bonds (distance) C4'-P energy: -45.009 bonds (distance) P-C4' energy: -54.392 flat angles C4'-P-C4' energy: -52.517 flat angles P-C4'-P energy: -29.318 tors. eta vs tors. theta energy: -33.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -422.064272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.064272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.064272 (E_RNA) where: Base-Base interactions energy: -212.500 where: short stacking energy: -118.486 Base-Backbone interact. energy: -1.267 local terms energy: -208.296887 where: bonds (distance) C4'-P energy: -48.614 bonds (distance) P-C4' energy: -68.342 flat angles C4'-P-C4' energy: -44.591 flat angles P-C4'-P energy: -35.730 tors. eta vs tors. theta energy: -11.020 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: 10, replica: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -316.750356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.750356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.750356 (E_RNA) where: Base-Base interactions energy: -136.772 where: short stacking energy: -95.517 Base-Backbone interact. energy: -0.619 local terms energy: -179.358940 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -56.671 flat angles C4'-P-C4' energy: -41.904 flat angles P-C4'-P energy: -31.006 tors. eta vs tors. theta energy: 9.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1178.000479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.000479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.000479 (E_RNA) where: Base-Base interactions energy: -796.013 where: short stacking energy: -371.654 Base-Backbone interact. energy: -0.644 local terms energy: -381.343534 where: bonds (distance) C4'-P energy: -65.589 bonds (distance) P-C4' energy: -72.787 flat angles C4'-P-C4' energy: -83.166 flat angles P-C4'-P energy: -48.506 tors. eta vs tors. theta energy: -111.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1139.080044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.080044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.080044 (E_RNA) where: Base-Base interactions energy: -770.525 where: short stacking energy: -374.005 Base-Backbone interact. energy: -0.693 local terms energy: -367.862038 where: bonds (distance) C4'-P energy: -63.334 bonds (distance) P-C4' energy: -67.935 flat angles C4'-P-C4' energy: -72.262 flat angles P-C4'-P energy: -50.521 tors. eta vs tors. theta energy: -113.811 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: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1059.791198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.791198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.791198 (E_RNA) where: Base-Base interactions energy: -716.096 where: short stacking energy: -315.985 Base-Backbone interact. energy: 0.644 local terms energy: -344.339610 where: bonds (distance) C4'-P energy: -55.654 bonds (distance) P-C4' energy: -72.744 flat angles C4'-P-C4' energy: -80.227 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: -86.479 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: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1017.588477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.588477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.588477 (E_RNA) where: Base-Base interactions energy: -689.107 where: short stacking energy: -317.985 Base-Backbone interact. energy: -0.713 local terms energy: -327.768035 where: bonds (distance) C4'-P energy: -64.214 bonds (distance) P-C4' energy: -67.401 flat angles C4'-P-C4' energy: -74.725 flat angles P-C4'-P energy: -44.406 tors. eta vs tors. theta energy: -77.022 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: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -926.952850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.952850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.952850 (E_RNA) where: Base-Base interactions energy: -606.658 where: short stacking energy: -267.397 Base-Backbone interact. energy: -0.311 local terms energy: -319.984021 where: bonds (distance) C4'-P energy: -58.711 bonds (distance) P-C4' energy: -60.786 flat angles C4'-P-C4' energy: -67.511 flat angles P-C4'-P energy: -53.539 tors. eta vs tors. theta energy: -79.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -762.282361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.282361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.282361 (E_RNA) where: Base-Base interactions energy: -481.385 where: short stacking energy: -244.409 Base-Backbone interact. energy: 1.381 local terms energy: -282.278580 where: bonds (distance) C4'-P energy: -51.880 bonds (distance) P-C4' energy: -60.510 flat angles C4'-P-C4' energy: -69.681 flat angles P-C4'-P energy: -46.881 tors. eta vs tors. theta energy: -53.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -715.303640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.303640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.303640 (E_RNA) where: Base-Base interactions energy: -449.937 where: short stacking energy: -224.514 Base-Backbone interact. energy: 1.671 local terms energy: -267.037065 where: bonds (distance) C4'-P energy: -54.337 bonds (distance) P-C4' energy: -59.448 flat angles C4'-P-C4' energy: -61.781 flat angles P-C4'-P energy: -43.153 tors. eta vs tors. theta energy: -48.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -577.450577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.450577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.450577 (E_RNA) where: Base-Base interactions energy: -317.804 where: short stacking energy: -176.601 Base-Backbone interact. energy: 2.102 local terms energy: -261.748869 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -53.740 flat angles C4'-P-C4' energy: -58.139 flat angles P-C4'-P energy: -41.844 tors. eta vs tors. theta energy: -39.568 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: 9, replica: 2 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -423.537123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.537123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.537123 (E_RNA) where: Base-Base interactions energy: -207.738 where: short stacking energy: -105.465 Base-Backbone interact. energy: -0.580 local terms energy: -215.219161 where: bonds (distance) C4'-P energy: -62.435 bonds (distance) P-C4' energy: -59.207 flat angles C4'-P-C4' energy: -55.394 flat angles P-C4'-P energy: -26.245 tors. eta vs tors. theta energy: -11.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -303.181563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.181563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.181563 (E_RNA) where: Base-Base interactions energy: -104.778 where: short stacking energy: -87.060 Base-Backbone interact. energy: -0.739 local terms energy: -197.664582 where: bonds (distance) C4'-P energy: -56.234 bonds (distance) P-C4' energy: -58.392 flat angles C4'-P-C4' energy: -57.621 flat angles P-C4'-P energy: -29.616 tors. eta vs tors. theta energy: 4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1176.311314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.311314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.311314 (E_RNA) where: Base-Base interactions energy: -786.779 where: short stacking energy: -381.539 Base-Backbone interact. energy: -0.674 local terms energy: -388.858028 where: bonds (distance) C4'-P energy: -64.050 bonds (distance) P-C4' energy: -63.122 flat angles C4'-P-C4' energy: -82.104 flat angles P-C4'-P energy: -61.931 tors. eta vs tors. theta energy: -117.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1133.329012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.329012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.329012 (E_RNA) where: Base-Base interactions energy: -761.904 where: short stacking energy: -360.618 Base-Backbone interact. energy: -0.753 local terms energy: -370.671450 where: bonds (distance) C4'-P energy: -67.640 bonds (distance) P-C4' energy: -72.146 flat angles C4'-P-C4' energy: -71.479 flat angles P-C4'-P energy: -48.649 tors. eta vs tors. theta energy: -110.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1033.015097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.015097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.015097 (E_RNA) where: Base-Base interactions energy: -692.442 where: short stacking energy: -309.450 Base-Backbone interact. energy: -1.364 local terms energy: -339.209246 where: bonds (distance) C4'-P energy: -67.779 bonds (distance) P-C4' energy: -60.045 flat angles C4'-P-C4' energy: -74.049 flat angles P-C4'-P energy: -51.183 tors. eta vs tors. theta energy: -86.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1022.960142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.960142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.960142 (E_RNA) where: Base-Base interactions energy: -689.236 where: short stacking energy: -321.755 Base-Backbone interact. energy: -0.344 local terms energy: -333.380160 where: bonds (distance) C4'-P energy: -63.717 bonds (distance) P-C4' energy: -60.262 flat angles C4'-P-C4' energy: -70.643 flat angles P-C4'-P energy: -52.812 tors. eta vs tors. theta energy: -85.947 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: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -935.418593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.418593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.418593 (E_RNA) where: Base-Base interactions energy: -627.081 where: short stacking energy: -292.574 Base-Backbone interact. energy: -0.820 local terms energy: -307.517698 where: bonds (distance) C4'-P energy: -58.536 bonds (distance) P-C4' energy: -60.293 flat angles C4'-P-C4' energy: -68.107 flat angles P-C4'-P energy: -39.698 tors. eta vs tors. theta energy: -80.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -823.992415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.992415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.992415 (E_RNA) where: Base-Base interactions energy: -515.890 where: short stacking energy: -266.735 Base-Backbone interact. energy: -1.515 local terms energy: -306.587527 where: bonds (distance) C4'-P energy: -54.846 bonds (distance) P-C4' energy: -52.575 flat angles C4'-P-C4' energy: -73.249 flat angles P-C4'-P energy: -51.015 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: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -751.460449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.460449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.460449 (E_RNA) where: Base-Base interactions energy: -471.294 where: short stacking energy: -231.575 Base-Backbone interact. energy: -0.048 local terms energy: -280.118368 where: bonds (distance) C4'-P energy: -56.950 bonds (distance) P-C4' energy: -51.498 flat angles C4'-P-C4' energy: -67.193 flat angles P-C4'-P energy: -41.594 tors. eta vs tors. theta energy: -62.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -589.568851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.568851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.568851 (E_RNA) where: Base-Base interactions energy: -336.814 where: short stacking energy: -185.958 Base-Backbone interact. energy: -0.476 local terms energy: -252.278578 where: bonds (distance) C4'-P energy: -55.556 bonds (distance) P-C4' energy: -51.244 flat angles C4'-P-C4' energy: -64.876 flat angles P-C4'-P energy: -38.339 tors. eta vs tors. theta energy: -42.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -458.327406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.327406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.327406 (E_RNA) where: Base-Base interactions energy: -238.616 where: short stacking energy: -143.140 Base-Backbone interact. energy: -0.907 local terms energy: -218.804496 where: bonds (distance) C4'-P energy: -60.128 bonds (distance) P-C4' energy: -64.376 flat angles C4'-P-C4' energy: -44.000 flat angles P-C4'-P energy: -32.885 tors. eta vs tors. theta energy: -17.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -294.786182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.786182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.786182 (E_RNA) where: Base-Base interactions energy: -110.858 where: short stacking energy: -79.123 Base-Backbone interact. energy: -0.848 local terms energy: -183.080373 where: bonds (distance) C4'-P energy: -55.842 bonds (distance) P-C4' energy: -54.334 flat angles C4'-P-C4' energy: -54.750 flat angles P-C4'-P energy: -12.961 tors. eta vs tors. theta energy: -5.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1170.060905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.060905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.060905 (E_RNA) where: Base-Base interactions energy: -778.000 where: short stacking energy: -366.567 Base-Backbone interact. energy: -0.907 local terms energy: -391.153465 where: bonds (distance) C4'-P energy: -67.455 bonds (distance) P-C4' energy: -81.068 flat angles C4'-P-C4' energy: -81.474 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -114.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1152.119445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.119445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.119445 (E_RNA) where: Base-Base interactions energy: -769.028 where: short stacking energy: -367.383 Base-Backbone interact. energy: -0.564 local terms energy: -382.527653 where: bonds (distance) C4'-P energy: -67.091 bonds (distance) P-C4' energy: -68.460 flat angles C4'-P-C4' energy: -83.731 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -113.884 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: 1 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1026.279317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.279317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.279317 (E_RNA) where: Base-Base interactions energy: -682.836 where: short stacking energy: -308.139 Base-Backbone interact. energy: -0.974 local terms energy: -342.468938 where: bonds (distance) C4'-P energy: -66.446 bonds (distance) P-C4' energy: -68.251 flat angles C4'-P-C4' energy: -73.345 flat angles P-C4'-P energy: -55.296 tors. eta vs tors. theta energy: -79.131 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: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1029.601519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.601519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.601519 (E_RNA) where: Base-Base interactions energy: -672.646 where: short stacking energy: -327.076 Base-Backbone interact. energy: -0.641 local terms energy: -356.314690 where: bonds (distance) C4'-P energy: -66.246 bonds (distance) P-C4' energy: -68.315 flat angles C4'-P-C4' energy: -71.048 flat angles P-C4'-P energy: -54.788 tors. eta vs tors. theta energy: -95.919 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: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -923.583364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.583364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.583364 (E_RNA) where: Base-Base interactions energy: -602.634 where: short stacking energy: -290.892 Base-Backbone interact. energy: -0.546 local terms energy: -320.403900 where: bonds (distance) C4'-P energy: -55.191 bonds (distance) P-C4' energy: -68.885 flat angles C4'-P-C4' energy: -76.910 flat angles P-C4'-P energy: -36.590 tors. eta vs tors. theta energy: -82.828 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: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -792.465786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.465786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.465786 (E_RNA) where: Base-Base interactions energy: -486.787 where: short stacking energy: -260.086 Base-Backbone interact. energy: -0.343 local terms energy: -305.334957 where: bonds (distance) C4'-P energy: -57.791 bonds (distance) P-C4' energy: -57.745 flat angles C4'-P-C4' energy: -68.851 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -74.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -723.100665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.100665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.100665 (E_RNA) where: Base-Base interactions energy: -463.690 where: short stacking energy: -236.394 Base-Backbone interact. energy: -0.389 local terms energy: -259.021004 where: bonds (distance) C4'-P energy: -57.175 bonds (distance) P-C4' energy: -59.221 flat angles C4'-P-C4' energy: -57.765 flat angles P-C4'-P energy: -33.983 tors. eta vs tors. theta energy: -50.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -560.568697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.568697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.568697 (E_RNA) where: Base-Base interactions energy: -308.211 where: short stacking energy: -170.226 Base-Backbone interact. energy: -0.566 local terms energy: -251.791789 where: bonds (distance) C4'-P energy: -55.891 bonds (distance) P-C4' energy: -52.423 flat angles C4'-P-C4' energy: -68.588 flat angles P-C4'-P energy: -39.840 tors. eta vs tors. theta energy: -35.050 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: 2 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -431.572635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.572635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.572635 (E_RNA) where: Base-Base interactions energy: -221.093 where: short stacking energy: -108.702 Base-Backbone interact. energy: 2.466 local terms energy: -212.946070 where: bonds (distance) C4'-P energy: -59.900 bonds (distance) P-C4' energy: -55.866 flat angles C4'-P-C4' energy: -59.524 flat angles P-C4'-P energy: -31.785 tors. eta vs tors. theta energy: -5.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -279.141167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.141167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.141167 (E_RNA) where: Base-Base interactions energy: -87.687 where: short stacking energy: -78.940 Base-Backbone interact. energy: -1.426 local terms energy: -190.027562 where: bonds (distance) C4'-P energy: -59.043 bonds (distance) P-C4' energy: -65.742 flat angles C4'-P-C4' energy: -51.409 flat angles P-C4'-P energy: -26.810 tors. eta vs tors. theta energy: 12.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1171.789443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.789443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.789443 (E_RNA) where: Base-Base interactions energy: -790.894 where: short stacking energy: -368.713 Base-Backbone interact. energy: -0.513 local terms energy: -380.382977 where: bonds (distance) C4'-P energy: -71.450 bonds (distance) P-C4' energy: -64.192 flat angles C4'-P-C4' energy: -82.812 flat angles P-C4'-P energy: -47.787 tors. eta vs tors. theta energy: -114.142 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: 2, replica: 10 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1115.685550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.685550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.685550 (E_RNA) where: Base-Base interactions energy: -735.576 where: short stacking energy: -353.460 Base-Backbone interact. energy: -0.723 local terms energy: -379.386494 where: bonds (distance) C4'-P energy: -71.711 bonds (distance) P-C4' energy: -72.597 flat angles C4'-P-C4' energy: -72.639 flat angles P-C4'-P energy: -56.036 tors. eta vs tors. theta energy: -106.404 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: 1 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1010.788877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.788877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.788877 (E_RNA) where: Base-Base interactions energy: -670.187 where: short stacking energy: -307.352 Base-Backbone interact. energy: 0.062 local terms energy: -340.663162 where: bonds (distance) C4'-P energy: -73.807 bonds (distance) P-C4' energy: -60.755 flat angles C4'-P-C4' energy: -70.329 flat angles P-C4'-P energy: -50.567 tors. eta vs tors. theta energy: -85.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1028.596790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.596790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.596790 (E_RNA) where: Base-Base interactions energy: -698.006 where: short stacking energy: -339.691 Base-Backbone interact. energy: 0.794 local terms energy: -331.384833 where: bonds (distance) C4'-P energy: -57.014 bonds (distance) P-C4' energy: -55.346 flat angles C4'-P-C4' energy: -71.877 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -100.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -899.074671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.074671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.074671 (E_RNA) where: Base-Base interactions energy: -588.902 where: short stacking energy: -284.767 Base-Backbone interact. energy: 1.016 local terms energy: -311.188130 where: bonds (distance) C4'-P energy: -63.194 bonds (distance) P-C4' energy: -68.351 flat angles C4'-P-C4' energy: -68.011 flat angles P-C4'-P energy: -37.650 tors. eta vs tors. theta energy: -73.982 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: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -773.883912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.883912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.883912 (E_RNA) where: Base-Base interactions energy: -472.926 where: short stacking energy: -242.720 Base-Backbone interact. energy: -0.495 local terms energy: -300.462260 where: bonds (distance) C4'-P energy: -59.315 bonds (distance) P-C4' energy: -62.834 flat angles C4'-P-C4' energy: -61.083 flat angles P-C4'-P energy: -52.313 tors. eta vs tors. theta energy: -64.918 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: 8 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -770.967277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.967277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.967277 (E_RNA) where: Base-Base interactions energy: -493.761 where: short stacking energy: -236.203 Base-Backbone interact. energy: 0.133 local terms energy: -277.339092 where: bonds (distance) C4'-P energy: -55.810 bonds (distance) P-C4' energy: -57.676 flat angles C4'-P-C4' energy: -64.411 flat angles P-C4'-P energy: -35.502 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: 8, replica: 5 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -554.004029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.004029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.004029 (E_RNA) where: Base-Base interactions energy: -308.765 where: short stacking energy: -160.697 Base-Backbone interact. energy: -1.324 local terms energy: -243.915310 where: bonds (distance) C4'-P energy: -54.218 bonds (distance) P-C4' energy: -59.295 flat angles C4'-P-C4' energy: -57.208 flat angles P-C4'-P energy: -40.768 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: 2 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -465.137716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.137716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.137716 (E_RNA) where: Base-Base interactions energy: -241.313 where: short stacking energy: -130.272 Base-Backbone interact. energy: 4.233 local terms energy: -228.057931 where: bonds (distance) C4'-P energy: -66.832 bonds (distance) P-C4' energy: -61.815 flat angles C4'-P-C4' energy: -52.829 flat angles P-C4'-P energy: -30.484 tors. eta vs tors. theta energy: -16.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -287.634009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.634009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.634009 (E_RNA) where: Base-Base interactions energy: -102.743 where: short stacking energy: -85.604 Base-Backbone interact. energy: 0.323 local terms energy: -185.214082 where: bonds (distance) C4'-P energy: -59.699 bonds (distance) P-C4' energy: -61.622 flat angles C4'-P-C4' energy: -46.795 flat angles P-C4'-P energy: -28.114 tors. eta vs tors. theta energy: 11.017 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: 1, replica: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1184.567918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.567918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.567918 (E_RNA) where: Base-Base interactions energy: -807.360 where: short stacking energy: -373.620 Base-Backbone interact. energy: -2.305 local terms energy: -374.902513 where: bonds (distance) C4'-P energy: -61.795 bonds (distance) P-C4' energy: -53.593 flat angles C4'-P-C4' energy: -85.596 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: -114.631 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: 10 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1124.866900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.866900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.866900 (E_RNA) where: Base-Base interactions energy: -748.600 where: short stacking energy: -364.420 Base-Backbone interact. energy: -0.377 local terms energy: -375.890480 where: bonds (distance) C4'-P energy: -71.024 bonds (distance) P-C4' energy: -70.760 flat angles C4'-P-C4' energy: -78.334 flat angles P-C4'-P energy: -46.533 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: 1 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1033.507080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.507080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.507080 (E_RNA) where: Base-Base interactions energy: -695.674 where: short stacking energy: -312.847 Base-Backbone interact. energy: -0.557 local terms energy: -337.275916 where: bonds (distance) C4'-P energy: -67.497 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -75.074 flat angles P-C4'-P energy: -44.523 tors. eta vs tors. theta energy: -87.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1017.790714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.790714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.790714 (E_RNA) where: Base-Base interactions energy: -668.846 where: short stacking energy: -306.083 Base-Backbone interact. energy: -1.364 local terms energy: -347.580762 where: bonds (distance) C4'-P energy: -67.511 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -74.558 flat angles P-C4'-P energy: -50.604 tors. eta vs tors. theta energy: -84.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -909.438397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.438397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.438397 (E_RNA) where: Base-Base interactions energy: -596.071 where: short stacking energy: -270.101 Base-Backbone interact. energy: -0.288 local terms energy: -313.080184 where: bonds (distance) C4'-P energy: -63.859 bonds (distance) P-C4' energy: -58.654 flat angles C4'-P-C4' energy: -68.595 flat angles P-C4'-P energy: -46.914 tors. eta vs tors. theta energy: -75.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -768.749561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.749561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.749561 (E_RNA) where: Base-Base interactions energy: -488.407 where: short stacking energy: -255.916 Base-Backbone interact. energy: -0.517 local terms energy: -279.825916 where: bonds (distance) C4'-P energy: -66.079 bonds (distance) P-C4' energy: -50.299 flat angles C4'-P-C4' energy: -70.840 flat angles P-C4'-P energy: -31.083 tors. eta vs tors. theta energy: -61.525 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: 8 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -790.667667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.667667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.667667 (E_RNA) where: Base-Base interactions energy: -504.841 where: short stacking energy: -233.855 Base-Backbone interact. energy: -2.164 local terms energy: -283.662795 where: bonds (distance) C4'-P energy: -63.463 bonds (distance) P-C4' energy: -56.337 flat angles C4'-P-C4' energy: -54.298 flat angles P-C4'-P energy: -48.328 tors. eta vs tors. theta energy: -61.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -573.058940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.058940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.058940 (E_RNA) where: Base-Base interactions energy: -328.130 where: short stacking energy: -144.755 Base-Backbone interact. energy: -1.411 local terms energy: -243.518187 where: bonds (distance) C4'-P energy: -68.801 bonds (distance) P-C4' energy: -73.063 flat angles C4'-P-C4' energy: -47.878 flat angles P-C4'-P energy: -25.500 tors. eta vs tors. theta energy: -28.276 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: 9, replica: 2 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -462.397789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.397789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.397789 (E_RNA) where: Base-Base interactions energy: -248.216 where: short stacking energy: -139.660 Base-Backbone interact. energy: 2.004 local terms energy: -216.185035 where: bonds (distance) C4'-P energy: -54.964 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -54.655 flat angles P-C4'-P energy: -31.018 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -290.247711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.247711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.247711 (E_RNA) where: Base-Base interactions energy: -100.148 where: short stacking energy: -90.895 Base-Backbone interact. energy: 0.586 local terms energy: -190.685729 where: bonds (distance) C4'-P energy: -50.639 bonds (distance) P-C4' energy: -56.174 flat angles C4'-P-C4' energy: -51.332 flat angles P-C4'-P energy: -32.534 tors. eta vs tors. theta energy: -0.007 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: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1175.457230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.457230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.457230 (E_RNA) where: Base-Base interactions energy: -790.267 where: short stacking energy: -369.752 Base-Backbone interact. energy: -1.681 local terms energy: -383.509603 where: bonds (distance) C4'-P energy: -70.021 bonds (distance) P-C4' energy: -71.519 flat angles C4'-P-C4' energy: -76.500 flat angles P-C4'-P energy: -57.866 tors. eta vs tors. theta energy: -107.604 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: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1111.380893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.380893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.380893 (E_RNA) where: Base-Base interactions energy: -739.572 where: short stacking energy: -355.217 Base-Backbone interact. energy: -2.106 local terms energy: -369.702370 where: bonds (distance) C4'-P energy: -64.972 bonds (distance) P-C4' energy: -76.982 flat angles C4'-P-C4' energy: -75.681 flat angles P-C4'-P energy: -46.014 tors. eta vs tors. theta energy: -106.054 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: 1 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1034.564083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.564083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.564083 (E_RNA) where: Base-Base interactions energy: -711.106 where: short stacking energy: -305.203 Base-Backbone interact. energy: 1.344 local terms energy: -324.801448 where: bonds (distance) C4'-P energy: -71.598 bonds (distance) P-C4' energy: -60.752 flat angles C4'-P-C4' energy: -69.266 flat angles P-C4'-P energy: -49.407 tors. eta vs tors. theta energy: -73.779 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: 4 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1001.654623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.654623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.654623 (E_RNA) where: Base-Base interactions energy: -677.334 where: short stacking energy: -310.761 Base-Backbone interact. energy: -0.437 local terms energy: -323.883781 where: bonds (distance) C4'-P energy: -50.481 bonds (distance) P-C4' energy: -58.997 flat angles C4'-P-C4' energy: -74.224 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -91.891 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: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -932.682158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.682158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.682158 (E_RNA) where: Base-Base interactions energy: -613.251 where: short stacking energy: -281.236 Base-Backbone interact. energy: -0.194 local terms energy: -319.236728 where: bonds (distance) C4'-P energy: -65.078 bonds (distance) P-C4' energy: -59.588 flat angles C4'-P-C4' energy: -72.332 flat angles P-C4'-P energy: -39.707 tors. eta vs tors. theta energy: -82.531 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: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -781.493904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.493904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.493904 (E_RNA) where: Base-Base interactions energy: -475.463 where: short stacking energy: -241.997 Base-Backbone interact. energy: -0.139 local terms energy: -305.891832 where: bonds (distance) C4'-P energy: -71.395 bonds (distance) P-C4' energy: -67.970 flat angles C4'-P-C4' energy: -64.722 flat angles P-C4'-P energy: -40.877 tors. eta vs tors. theta energy: -60.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -770.580614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.580614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.580614 (E_RNA) where: Base-Base interactions energy: -492.860 where: short stacking energy: -245.921 Base-Backbone interact. energy: -0.199 local terms energy: -277.521782 where: bonds (distance) C4'-P energy: -49.952 bonds (distance) P-C4' energy: -69.692 flat angles C4'-P-C4' energy: -49.801 flat angles P-C4'-P energy: -50.956 tors. eta vs tors. theta energy: -57.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -534.925952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.925952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.925952 (E_RNA) where: Base-Base interactions energy: -290.459 where: short stacking energy: -168.637 Base-Backbone interact. energy: 0.014 local terms energy: -244.481235 where: bonds (distance) C4'-P energy: -66.120 bonds (distance) P-C4' energy: -61.405 flat angles C4'-P-C4' energy: -53.781 flat angles P-C4'-P energy: -38.643 tors. eta vs tors. theta energy: -24.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -451.392569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.392569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.392569 (E_RNA) where: Base-Base interactions energy: -244.131 where: short stacking energy: -142.394 Base-Backbone interact. energy: 3.790 local terms energy: -211.050841 where: bonds (distance) C4'-P energy: -54.025 bonds (distance) P-C4' energy: -62.338 flat angles C4'-P-C4' energy: -57.273 flat angles P-C4'-P energy: -23.132 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -325.148283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.148283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.148283 (E_RNA) where: Base-Base interactions energy: -146.058 where: short stacking energy: -97.883 Base-Backbone interact. energy: 5.109 local terms energy: -184.199788 where: bonds (distance) C4'-P energy: -46.981 bonds (distance) P-C4' energy: -59.459 flat angles C4'-P-C4' energy: -52.890 flat angles P-C4'-P energy: -29.210 tors. eta vs tors. theta energy: 4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1172.418355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.418355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.418355 (E_RNA) where: Base-Base interactions energy: -794.676 where: short stacking energy: -387.421 Base-Backbone interact. energy: -1.476 local terms energy: -376.265847 where: bonds (distance) C4'-P energy: -58.468 bonds (distance) P-C4' energy: -71.896 flat angles C4'-P-C4' energy: -78.737 flat angles P-C4'-P energy: -54.767 tors. eta vs tors. theta energy: -112.399 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: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1113.900014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.900014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.900014 (E_RNA) where: Base-Base interactions energy: -732.870 where: short stacking energy: -361.403 Base-Backbone interact. energy: -0.213 local terms energy: -380.816853 where: bonds (distance) C4'-P energy: -66.805 bonds (distance) P-C4' energy: -72.855 flat angles C4'-P-C4' energy: -82.802 flat angles P-C4'-P energy: -48.414 tors. eta vs tors. theta energy: -109.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1027.090658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.090658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.090658 (E_RNA) where: Base-Base interactions energy: -697.845 where: short stacking energy: -318.416 Base-Backbone interact. energy: 1.000 local terms energy: -330.245051 where: bonds (distance) C4'-P energy: -66.958 bonds (distance) P-C4' energy: -69.773 flat angles C4'-P-C4' energy: -64.023 flat angles P-C4'-P energy: -36.258 tors. eta vs tors. theta energy: -93.233 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: 4 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -998.197027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.197027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.197027 (E_RNA) where: Base-Base interactions energy: -678.934 where: short stacking energy: -317.531 Base-Backbone interact. energy: 0.236 local terms energy: -319.499678 where: bonds (distance) C4'-P energy: -63.881 bonds (distance) P-C4' energy: -63.283 flat angles C4'-P-C4' energy: -61.782 flat angles P-C4'-P energy: -40.985 tors. eta vs tors. theta energy: -89.569 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -927.289756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.289756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.289756 (E_RNA) where: Base-Base interactions energy: -620.512 where: short stacking energy: -279.621 Base-Backbone interact. energy: 0.976 local terms energy: -307.753752 where: bonds (distance) C4'-P energy: -61.154 bonds (distance) P-C4' energy: -62.104 flat angles C4'-P-C4' energy: -64.303 flat angles P-C4'-P energy: -44.632 tors. eta vs tors. theta energy: -75.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -750.800799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.800799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.800799 (E_RNA) where: Base-Base interactions energy: -459.333 where: short stacking energy: -244.289 Base-Backbone interact. energy: 3.376 local terms energy: -294.843904 where: bonds (distance) C4'-P energy: -72.160 bonds (distance) P-C4' energy: -69.799 flat angles C4'-P-C4' energy: -61.327 flat angles P-C4'-P energy: -45.931 tors. eta vs tors. theta energy: -45.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -754.555934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.555934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.555934 (E_RNA) where: Base-Base interactions energy: -469.965 where: short stacking energy: -217.442 Base-Backbone interact. energy: -2.364 local terms energy: -282.226705 where: bonds (distance) C4'-P energy: -68.294 bonds (distance) P-C4' energy: -68.717 flat angles C4'-P-C4' energy: -54.293 flat angles P-C4'-P energy: -37.453 tors. eta vs tors. theta energy: -53.470 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: 5 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -501.880670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.880670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.880670 (E_RNA) where: Base-Base interactions energy: -278.826 where: short stacking energy: -152.467 Base-Backbone interact. energy: 2.146 local terms energy: -225.201092 where: bonds (distance) C4'-P energy: -50.517 bonds (distance) P-C4' energy: -58.926 flat angles C4'-P-C4' energy: -63.603 flat angles P-C4'-P energy: -31.745 tors. eta vs tors. theta energy: -20.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -438.603909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.603909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.603909 (E_RNA) where: Base-Base interactions energy: -233.587 where: short stacking energy: -127.833 Base-Backbone interact. energy: 0.058 local terms energy: -205.074066 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -59.335 flat angles C4'-P-C4' energy: -45.666 flat angles P-C4'-P energy: -30.841 tors. eta vs tors. theta energy: -11.967 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: 488 Temperature: 1.350000 Total energy: -349.867253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.867253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.867253 (E_RNA) where: Base-Base interactions energy: -153.918 where: short stacking energy: -92.171 Base-Backbone interact. energy: -1.031 local terms energy: -194.918100 where: bonds (distance) C4'-P energy: -57.629 bonds (distance) P-C4' energy: -55.365 flat angles C4'-P-C4' energy: -50.812 flat angles P-C4'-P energy: -30.298 tors. eta vs tors. theta energy: -0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1167.410662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.410662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.410662 (E_RNA) where: Base-Base interactions energy: -791.469 where: short stacking energy: -357.414 Base-Backbone interact. energy: -1.354 local terms energy: -374.587304 where: bonds (distance) C4'-P energy: -66.617 bonds (distance) P-C4' energy: -72.557 flat angles C4'-P-C4' energy: -74.996 flat angles P-C4'-P energy: -52.680 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: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1128.261566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.261566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.261566 (E_RNA) where: Base-Base interactions energy: -762.286 where: short stacking energy: -357.223 Base-Backbone interact. energy: -0.127 local terms energy: -365.849121 where: bonds (distance) C4'-P energy: -66.346 bonds (distance) P-C4' energy: -70.483 flat angles C4'-P-C4' energy: -71.403 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: -107.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1011.937231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.937231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.937231 (E_RNA) where: Base-Base interactions energy: -681.378 where: short stacking energy: -298.670 Base-Backbone interact. energy: 1.107 local terms energy: -331.666509 where: bonds (distance) C4'-P energy: -63.760 bonds (distance) P-C4' energy: -67.596 flat angles C4'-P-C4' energy: -80.210 flat angles P-C4'-P energy: -41.711 tors. eta vs tors. theta energy: -78.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -981.693680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.693680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.693680 (E_RNA) where: Base-Base interactions energy: -660.429 where: short stacking energy: -307.615 Base-Backbone interact. energy: 4.805 local terms energy: -326.070573 where: bonds (distance) C4'-P energy: -59.850 bonds (distance) P-C4' energy: -70.349 flat angles C4'-P-C4' energy: -84.351 flat angles P-C4'-P energy: -29.121 tors. eta vs tors. theta energy: -82.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -890.939840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.939840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.939840 (E_RNA) where: Base-Base interactions energy: -583.320 where: short stacking energy: -248.575 Base-Backbone interact. energy: -0.033 local terms energy: -307.586857 where: bonds (distance) C4'-P energy: -57.809 bonds (distance) P-C4' energy: -63.304 flat angles C4'-P-C4' energy: -70.731 flat angles P-C4'-P energy: -53.933 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: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -763.917659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.917659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.917659 (E_RNA) where: Base-Base interactions energy: -476.105 where: short stacking energy: -238.195 Base-Backbone interact. energy: 2.976 local terms energy: -290.788292 where: bonds (distance) C4'-P energy: -58.404 bonds (distance) P-C4' energy: -58.953 flat angles C4'-P-C4' energy: -63.453 flat angles P-C4'-P energy: -53.673 tors. eta vs tors. theta energy: -56.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -718.257102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.257102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.257102 (E_RNA) where: Base-Base interactions energy: -449.568 where: short stacking energy: -213.654 Base-Backbone interact. energy: 5.516 local terms energy: -274.204815 where: bonds (distance) C4'-P energy: -60.503 bonds (distance) P-C4' energy: -64.089 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -40.031 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: 5 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -512.054164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.054164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.054164 (E_RNA) where: Base-Base interactions energy: -299.028 where: short stacking energy: -155.796 Base-Backbone interact. energy: 1.316 local terms energy: -214.342341 where: bonds (distance) C4'-P energy: -50.014 bonds (distance) P-C4' energy: -67.143 flat angles C4'-P-C4' energy: -58.997 flat angles P-C4'-P energy: -18.463 tors. eta vs tors. theta energy: -19.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -423.169488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.169488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.169488 (E_RNA) where: Base-Base interactions energy: -211.812 where: short stacking energy: -125.821 Base-Backbone interact. energy: -1.583 local terms energy: -209.773906 where: bonds (distance) C4'-P energy: -48.144 bonds (distance) P-C4' energy: -52.697 flat angles C4'-P-C4' energy: -54.145 flat angles P-C4'-P energy: -44.149 tors. eta vs tors. theta energy: -10.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -290.500946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.500946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.500946 (E_RNA) where: Base-Base interactions energy: -98.922 where: short stacking energy: -78.965 Base-Backbone interact. energy: 0.529 local terms energy: -192.107550 where: bonds (distance) C4'-P energy: -58.600 bonds (distance) P-C4' energy: -56.866 flat angles C4'-P-C4' energy: -42.967 flat angles P-C4'-P energy: -35.481 tors. eta vs tors. theta energy: 1.807 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: 1, replica: 6 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1162.480780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.480780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.480780 (E_RNA) where: Base-Base interactions energy: -773.308 where: short stacking energy: -373.454 Base-Backbone interact. energy: -0.331 local terms energy: -388.842257 where: bonds (distance) C4'-P energy: -69.578 bonds (distance) P-C4' energy: -73.590 flat angles C4'-P-C4' energy: -79.689 flat angles P-C4'-P energy: -58.628 tors. eta vs tors. theta energy: -107.357 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: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1133.178679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.178679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.178679 (E_RNA) where: Base-Base interactions energy: -762.946 where: short stacking energy: -357.021 Base-Backbone interact. energy: -0.298 local terms energy: -369.934490 where: bonds (distance) C4'-P energy: -60.653 bonds (distance) P-C4' energy: -69.622 flat angles C4'-P-C4' energy: -78.419 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: -110.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1017.479068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.479068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.479068 (E_RNA) where: Base-Base interactions energy: -693.055 where: short stacking energy: -299.331 Base-Backbone interact. energy: -1.872 local terms energy: -322.551955 where: bonds (distance) C4'-P energy: -61.283 bonds (distance) P-C4' energy: -66.401 flat angles C4'-P-C4' energy: -79.725 flat angles P-C4'-P energy: -40.369 tors. eta vs tors. theta energy: -74.774 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: 4 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -989.845812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.845812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.845812 (E_RNA) where: Base-Base interactions energy: -656.534 where: short stacking energy: -307.924 Base-Backbone interact. energy: 0.064 local terms energy: -333.376094 where: bonds (distance) C4'-P energy: -65.529 bonds (distance) P-C4' energy: -67.717 flat angles C4'-P-C4' energy: -68.887 flat angles P-C4'-P energy: -47.338 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: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -915.237599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.237599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.237599 (E_RNA) where: Base-Base interactions energy: -592.756 where: short stacking energy: -259.115 Base-Backbone interact. energy: 1.919 local terms energy: -324.400676 where: bonds (distance) C4'-P energy: -62.601 bonds (distance) P-C4' energy: -68.699 flat angles C4'-P-C4' energy: -76.162 flat angles P-C4'-P energy: -48.088 tors. eta vs tors. theta energy: -68.850 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: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -771.668464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.668464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.668464 (E_RNA) where: Base-Base interactions energy: -464.920 where: short stacking energy: -253.156 Base-Backbone interact. energy: -0.475 local terms energy: -306.274040 where: bonds (distance) C4'-P energy: -68.503 bonds (distance) P-C4' energy: -56.102 flat angles C4'-P-C4' energy: -62.735 flat angles P-C4'-P energy: -46.475 tors. eta vs tors. theta energy: -72.459 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: 8 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -735.212179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.212179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.212179 (E_RNA) where: Base-Base interactions energy: -472.825 where: short stacking energy: -217.786 Base-Backbone interact. energy: -0.587 local terms energy: -261.800155 where: bonds (distance) C4'-P energy: -47.239 bonds (distance) P-C4' energy: -65.878 flat angles C4'-P-C4' energy: -62.382 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -43.359 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: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -501.965155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.965155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.965155 (E_RNA) where: Base-Base interactions energy: -283.478 where: short stacking energy: -148.490 Base-Backbone interact. energy: 7.812 local terms energy: -226.298618 where: bonds (distance) C4'-P energy: -50.641 bonds (distance) P-C4' energy: -56.556 flat angles C4'-P-C4' energy: -51.173 flat angles P-C4'-P energy: -40.258 tors. eta vs tors. theta energy: -27.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -383.228488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.228488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.228488 (E_RNA) where: Base-Base interactions energy: -183.704 where: short stacking energy: -96.119 Base-Backbone interact. energy: 2.308 local terms energy: -201.832924 where: bonds (distance) C4'-P energy: -62.709 bonds (distance) P-C4' energy: -57.966 flat angles C4'-P-C4' energy: -60.931 flat angles P-C4'-P energy: -32.706 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: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -300.829441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.829441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.829441 (E_RNA) where: Base-Base interactions energy: -136.665 where: short stacking energy: -90.098 Base-Backbone interact. energy: -2.374 local terms energy: -161.790224 where: bonds (distance) C4'-P energy: -44.487 bonds (distance) P-C4' energy: -60.510 flat angles C4'-P-C4' energy: -40.783 flat angles P-C4'-P energy: -23.023 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: 6 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1155.681949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.681949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.681949 (E_RNA) where: Base-Base interactions energy: -787.692 where: short stacking energy: -375.868 Base-Backbone interact. energy: 0.056 local terms energy: -368.045756 where: bonds (distance) C4'-P energy: -57.002 bonds (distance) P-C4' energy: -63.676 flat angles C4'-P-C4' energy: -82.538 flat angles P-C4'-P energy: -56.150 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: 2, replica: 10 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1120.072731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.072731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.072731 (E_RNA) where: Base-Base interactions energy: -754.494 where: short stacking energy: -358.452 Base-Backbone interact. energy: -0.584 local terms energy: -364.994145 where: bonds (distance) C4'-P energy: -67.331 bonds (distance) P-C4' energy: -66.341 flat angles C4'-P-C4' energy: -82.633 flat angles P-C4'-P energy: -38.666 tors. eta vs tors. theta energy: -110.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1039.339951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.339951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.339951 (E_RNA) where: Base-Base interactions energy: -689.948 where: short stacking energy: -311.224 Base-Backbone interact. energy: -0.741 local terms energy: -348.650288 where: bonds (distance) C4'-P energy: -66.008 bonds (distance) P-C4' energy: -71.718 flat angles C4'-P-C4' energy: -73.975 flat angles P-C4'-P energy: -47.474 tors. eta vs tors. theta energy: -89.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1017.027302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.027302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.027302 (E_RNA) where: Base-Base interactions energy: -679.280 where: short stacking energy: -308.518 Base-Backbone interact. energy: -1.794 local terms energy: -335.953123 where: bonds (distance) C4'-P energy: -61.028 bonds (distance) P-C4' energy: -65.160 flat angles C4'-P-C4' energy: -77.713 flat angles P-C4'-P energy: -48.971 tors. eta vs tors. theta energy: -83.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -906.436140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.436140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.436140 (E_RNA) where: Base-Base interactions energy: -593.822 where: short stacking energy: -270.453 Base-Backbone interact. energy: -0.665 local terms energy: -311.948432 where: bonds (distance) C4'-P energy: -61.079 bonds (distance) P-C4' energy: -62.231 flat angles C4'-P-C4' energy: -62.845 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -74.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -771.277623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.277623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.277623 (E_RNA) where: Base-Base interactions energy: -463.141 where: short stacking energy: -244.368 Base-Backbone interact. energy: -0.965 local terms energy: -307.172106 where: bonds (distance) C4'-P energy: -60.739 bonds (distance) P-C4' energy: -67.912 flat angles C4'-P-C4' energy: -61.595 flat angles P-C4'-P energy: -50.969 tors. eta vs tors. theta energy: -65.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -751.541922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.541922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.541922 (E_RNA) where: Base-Base interactions energy: -490.822 where: short stacking energy: -219.306 Base-Backbone interact. energy: 0.614 local terms energy: -261.333831 where: bonds (distance) C4'-P energy: -57.836 bonds (distance) P-C4' energy: -63.787 flat angles C4'-P-C4' energy: -59.985 flat angles P-C4'-P energy: -23.709 tors. eta vs tors. theta energy: -56.017 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: 8, replica: 5 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -501.018554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.018554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.018554 (E_RNA) where: Base-Base interactions energy: -263.050 where: short stacking energy: -138.471 Base-Backbone interact. energy: -0.256 local terms energy: -237.711653 where: bonds (distance) C4'-P energy: -54.527 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -62.000 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -24.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -407.476043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.476043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.476043 (E_RNA) where: Base-Base interactions energy: -189.328 where: short stacking energy: -109.686 Base-Backbone interact. energy: -0.083 local terms energy: -218.064476 where: bonds (distance) C4'-P energy: -59.406 bonds (distance) P-C4' energy: -68.580 flat angles C4'-P-C4' energy: -59.116 flat angles P-C4'-P energy: -30.681 tors. eta vs tors. theta energy: -0.281 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: 491 Temperature: 1.350000 Total energy: -299.160926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.160926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.160926 (E_RNA) where: Base-Base interactions energy: -129.214 where: short stacking energy: -86.004 Base-Backbone interact. energy: 3.311 local terms energy: -173.257910 where: bonds (distance) C4'-P energy: -59.348 bonds (distance) P-C4' energy: -50.861 flat angles C4'-P-C4' energy: -51.910 flat angles P-C4'-P energy: -19.566 tors. eta vs tors. theta energy: 8.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1144.819017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.819017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.819017 (E_RNA) where: Base-Base interactions energy: -753.504 where: short stacking energy: -354.989 Base-Backbone interact. energy: -1.826 local terms energy: -389.489225 where: bonds (distance) C4'-P energy: -69.326 bonds (distance) P-C4' energy: -78.375 flat angles C4'-P-C4' energy: -78.041 flat angles P-C4'-P energy: -59.373 tors. eta vs tors. theta energy: -104.375 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: 6 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1142.789792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.789792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.789792 (E_RNA) where: Base-Base interactions energy: -765.910 where: short stacking energy: -351.775 Base-Backbone interact. energy: -0.224 local terms energy: -376.656377 where: bonds (distance) C4'-P energy: -61.435 bonds (distance) P-C4' energy: -69.768 flat angles C4'-P-C4' energy: -79.395 flat angles P-C4'-P energy: -53.779 tors. eta vs tors. theta energy: -112.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1044.729063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.729063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.729063 (E_RNA) where: Base-Base interactions energy: -697.360 where: short stacking energy: -331.604 Base-Backbone interact. energy: -0.485 local terms energy: -346.884049 where: bonds (distance) C4'-P energy: -68.392 bonds (distance) P-C4' energy: -64.822 flat angles C4'-P-C4' energy: -73.916 flat angles P-C4'-P energy: -52.252 tors. eta vs tors. theta energy: -87.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1039.236803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.236803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.236803 (E_RNA) where: Base-Base interactions energy: -710.552 where: short stacking energy: -327.080 Base-Backbone interact. energy: -1.916 local terms energy: -326.769425 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -51.109 flat angles C4'-P-C4' energy: -67.356 flat angles P-C4'-P energy: -53.440 tors. eta vs tors. theta energy: -96.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -967.166292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.166292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.166292 (E_RNA) where: Base-Base interactions energy: -643.738 where: short stacking energy: -292.476 Base-Backbone interact. energy: -0.664 local terms energy: -322.764655 where: bonds (distance) C4'-P energy: -63.569 bonds (distance) P-C4' energy: -63.503 flat angles C4'-P-C4' energy: -67.808 flat angles P-C4'-P energy: -47.959 tors. eta vs tors. theta energy: -79.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -773.582101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.582101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.582101 (E_RNA) where: Base-Base interactions energy: -478.562 where: short stacking energy: -235.989 Base-Backbone interact. energy: -0.548 local terms energy: -294.471735 where: bonds (distance) C4'-P energy: -60.812 bonds (distance) P-C4' energy: -73.899 flat angles C4'-P-C4' energy: -64.631 flat angles P-C4'-P energy: -48.461 tors. eta vs tors. theta energy: -46.669 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: 8 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -750.811335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.811335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.811335 (E_RNA) where: Base-Base interactions energy: -484.299 where: short stacking energy: -238.240 Base-Backbone interact. energy: 1.572 local terms energy: -268.083503 where: bonds (distance) C4'-P energy: -50.854 bonds (distance) P-C4' energy: -65.886 flat angles C4'-P-C4' energy: -62.155 flat angles P-C4'-P energy: -33.787 tors. eta vs tors. theta energy: -55.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -521.018770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.018770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.018770 (E_RNA) where: Base-Base interactions energy: -279.629 where: short stacking energy: -153.564 Base-Backbone interact. energy: 0.786 local terms energy: -242.175636 where: bonds (distance) C4'-P energy: -60.988 bonds (distance) P-C4' energy: -68.961 flat angles C4'-P-C4' energy: -49.044 flat angles P-C4'-P energy: -49.923 tors. eta vs tors. theta energy: -13.259 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: 2 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -399.834858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.834858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.834858 (E_RNA) where: Base-Base interactions energy: -204.620 where: short stacking energy: -115.750 Base-Backbone interact. energy: -0.552 local terms energy: -194.662911 where: bonds (distance) C4'-P energy: -50.654 bonds (distance) P-C4' energy: -53.576 flat angles C4'-P-C4' energy: -59.101 flat angles P-C4'-P energy: -30.073 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: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -271.659369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.659369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.659369 (E_RNA) where: Base-Base interactions energy: -82.815 where: short stacking energy: -73.277 Base-Backbone interact. energy: 0.283 local terms energy: -189.127758 where: bonds (distance) C4'-P energy: -58.028 bonds (distance) P-C4' energy: -69.031 flat angles C4'-P-C4' energy: -50.333 flat angles P-C4'-P energy: -23.995 tors. eta vs tors. theta energy: 12.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1154.838049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.838049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.838049 (E_RNA) where: Base-Base interactions energy: -778.086 where: short stacking energy: -381.091 Base-Backbone interact. energy: -0.789 local terms energy: -375.963787 where: bonds (distance) C4'-P energy: -61.409 bonds (distance) P-C4' energy: -64.127 flat angles C4'-P-C4' energy: -79.028 flat angles P-C4'-P energy: -58.111 tors. eta vs tors. theta energy: -113.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1120.995977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.995977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.995977 (E_RNA) where: Base-Base interactions energy: -758.681 where: short stacking energy: -376.012 Base-Backbone interact. energy: -1.223 local terms energy: -361.092310 where: bonds (distance) C4'-P energy: -54.956 bonds (distance) P-C4' energy: -65.936 flat angles C4'-P-C4' energy: -75.761 flat angles P-C4'-P energy: -51.155 tors. eta vs tors. theta energy: -113.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1048.202635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.202635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.202635 (E_RNA) where: Base-Base interactions energy: -704.336 where: short stacking energy: -322.753 Base-Backbone interact. energy: -1.652 local terms energy: -342.214836 where: bonds (distance) C4'-P energy: -63.726 bonds (distance) P-C4' energy: -64.783 flat angles C4'-P-C4' energy: -77.597 flat angles P-C4'-P energy: -48.426 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: 4, replica: 4 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1018.880208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.880208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.880208 (E_RNA) where: Base-Base interactions energy: -659.176 where: short stacking energy: -313.537 Base-Backbone interact. energy: -2.093 local terms energy: -357.610591 where: bonds (distance) C4'-P energy: -67.577 bonds (distance) P-C4' energy: -67.553 flat angles C4'-P-C4' energy: -82.037 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: -96.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -958.124476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.124476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.124476 (E_RNA) where: Base-Base interactions energy: -657.732 where: short stacking energy: -288.617 Base-Backbone interact. energy: -0.694 local terms energy: -299.698194 where: bonds (distance) C4'-P energy: -58.830 bonds (distance) P-C4' energy: -64.820 flat angles C4'-P-C4' energy: -60.238 flat angles P-C4'-P energy: -42.564 tors. eta vs tors. theta energy: -73.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -793.280448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.280448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.280448 (E_RNA) where: Base-Base interactions energy: -498.364 where: short stacking energy: -270.957 Base-Backbone interact. energy: 1.262 local terms energy: -296.178513 where: bonds (distance) C4'-P energy: -56.536 bonds (distance) P-C4' energy: -63.403 flat angles C4'-P-C4' energy: -67.884 flat angles P-C4'-P energy: -34.293 tors. eta vs tors. theta energy: -74.062 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: 493 Temperature: 1.200000 Total energy: -771.934995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.934995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.934995 (E_RNA) where: Base-Base interactions energy: -500.784 where: short stacking energy: -244.311 Base-Backbone interact. energy: 2.284 local terms energy: -273.434587 where: bonds (distance) C4'-P energy: -58.488 bonds (distance) P-C4' energy: -66.405 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -29.759 tors. eta vs tors. theta energy: -52.140 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: 5 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -550.863697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.863697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.863697 (E_RNA) where: Base-Base interactions energy: -322.584 where: short stacking energy: -167.908 Base-Backbone interact. energy: 5.305 local terms energy: -233.585225 where: bonds (distance) C4'-P energy: -57.705 bonds (distance) P-C4' energy: -48.505 flat angles C4'-P-C4' energy: -59.630 flat angles P-C4'-P energy: -41.647 tors. eta vs tors. theta energy: -26.098 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: 493 Temperature: 1.300000 Total energy: -437.462474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.462474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.462474 (E_RNA) where: Base-Base interactions energy: -205.240 where: short stacking energy: -116.593 Base-Backbone interact. energy: -1.344 local terms energy: -230.877622 where: bonds (distance) C4'-P energy: -61.688 bonds (distance) P-C4' energy: -64.111 flat angles C4'-P-C4' energy: -56.887 flat angles P-C4'-P energy: -33.303 tors. eta vs tors. theta energy: -14.889 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: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -303.473938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.473938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.473938 (E_RNA) where: Base-Base interactions energy: -105.056 where: short stacking energy: -100.176 Base-Backbone interact. energy: 0.191 local terms energy: -198.609772 where: bonds (distance) C4'-P energy: -50.705 bonds (distance) P-C4' energy: -48.866 flat angles C4'-P-C4' energy: -52.545 flat angles P-C4'-P energy: -35.480 tors. eta vs tors. theta energy: -11.013 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: 1, replica: 10 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1154.823585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.823585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.823585 (E_RNA) where: Base-Base interactions energy: -797.812 where: short stacking energy: -372.407 Base-Backbone interact. energy: 0.414 local terms energy: -357.425462 where: bonds (distance) C4'-P energy: -59.245 bonds (distance) P-C4' energy: -67.582 flat angles C4'-P-C4' energy: -72.932 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: -110.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1158.758945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.758945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.758945 (E_RNA) where: Base-Base interactions energy: -776.579 where: short stacking energy: -373.390 Base-Backbone interact. energy: -0.313 local terms energy: -381.867515 where: bonds (distance) C4'-P energy: -72.567 bonds (distance) P-C4' energy: -72.540 flat angles C4'-P-C4' energy: -78.983 flat angles P-C4'-P energy: -47.048 tors. eta vs tors. theta energy: -110.730 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: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1022.006580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.006580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.006580 (E_RNA) where: Base-Base interactions energy: -686.995 where: short stacking energy: -317.783 Base-Backbone interact. energy: -0.939 local terms energy: -334.072785 where: bonds (distance) C4'-P energy: -61.042 bonds (distance) P-C4' energy: -66.070 flat angles C4'-P-C4' energy: -76.264 flat angles P-C4'-P energy: -47.051 tors. eta vs tors. theta energy: -83.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -991.441715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.441715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.441715 (E_RNA) where: Base-Base interactions energy: -651.877 where: short stacking energy: -305.076 Base-Backbone interact. energy: -1.798 local terms energy: -337.766876 where: bonds (distance) C4'-P energy: -57.918 bonds (distance) P-C4' energy: -64.151 flat angles C4'-P-C4' energy: -71.613 flat angles P-C4'-P energy: -53.307 tors. eta vs tors. theta energy: -90.778 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: 3 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -964.451213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.451213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.451213 (E_RNA) where: Base-Base interactions energy: -637.492 where: short stacking energy: -300.679 Base-Backbone interact. energy: -0.549 local terms energy: -326.410131 where: bonds (distance) C4'-P energy: -57.259 bonds (distance) P-C4' energy: -69.723 flat angles C4'-P-C4' energy: -71.824 flat angles P-C4'-P energy: -48.527 tors. eta vs tors. theta energy: -79.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -801.919727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.919727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.919727 (E_RNA) where: Base-Base interactions energy: -480.885 where: short stacking energy: -252.960 Base-Backbone interact. energy: 2.673 local terms energy: -323.708374 where: bonds (distance) C4'-P energy: -56.713 bonds (distance) P-C4' energy: -70.316 flat angles C4'-P-C4' energy: -78.660 flat angles P-C4'-P energy: -48.833 tors. eta vs tors. theta energy: -69.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -748.877368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.877368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.877368 (E_RNA) where: Base-Base interactions energy: -494.764 where: short stacking energy: -234.750 Base-Backbone interact. energy: 0.374 local terms energy: -254.487001 where: bonds (distance) C4'-P energy: -50.055 bonds (distance) P-C4' energy: -55.885 flat angles C4'-P-C4' energy: -66.301 flat angles P-C4'-P energy: -35.360 tors. eta vs tors. theta energy: -46.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -510.582789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.582789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.582789 (E_RNA) where: Base-Base interactions energy: -271.115 where: short stacking energy: -128.263 Base-Backbone interact. energy: 0.700 local terms energy: -240.167778 where: bonds (distance) C4'-P energy: -61.256 bonds (distance) P-C4' energy: -66.669 flat angles C4'-P-C4' energy: -66.313 flat angles P-C4'-P energy: -42.092 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -448.093275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.093275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.093275 (E_RNA) where: Base-Base interactions energy: -221.561 where: short stacking energy: -116.346 Base-Backbone interact. energy: -0.564 local terms energy: -225.967748 where: bonds (distance) C4'-P energy: -66.720 bonds (distance) P-C4' energy: -62.622 flat angles C4'-P-C4' energy: -49.247 flat angles P-C4'-P energy: -32.634 tors. eta vs tors. theta energy: -14.745 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: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -284.222488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.222488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.222488 (E_RNA) where: Base-Base interactions energy: -83.194 where: short stacking energy: -74.364 Base-Backbone interact. energy: -0.155 local terms energy: -200.873204 where: bonds (distance) C4'-P energy: -63.819 bonds (distance) P-C4' energy: -56.078 flat angles C4'-P-C4' energy: -45.529 flat angles P-C4'-P energy: -35.565 tors. eta vs tors. theta energy: 0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1161.733925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.733925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.733925 (E_RNA) where: Base-Base interactions energy: -773.087 where: short stacking energy: -380.738 Base-Backbone interact. energy: -0.223 local terms energy: -388.424051 where: bonds (distance) C4'-P energy: -75.610 bonds (distance) P-C4' energy: -67.742 flat angles C4'-P-C4' energy: -80.813 flat angles P-C4'-P energy: -55.417 tors. eta vs tors. theta energy: -108.843 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: 6 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1154.199160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.199160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.199160 (E_RNA) where: Base-Base interactions energy: -785.264 where: short stacking energy: -380.239 Base-Backbone interact. energy: -0.251 local terms energy: -368.683911 where: bonds (distance) C4'-P energy: -60.333 bonds (distance) P-C4' energy: -59.652 flat angles C4'-P-C4' energy: -73.438 flat angles P-C4'-P energy: -58.036 tors. eta vs tors. theta energy: -117.225 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: 1 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1046.275971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.275971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.275971 (E_RNA) where: Base-Base interactions energy: -691.673 where: short stacking energy: -318.432 Base-Backbone interact. energy: -2.076 local terms energy: -352.526540 where: bonds (distance) C4'-P energy: -64.118 bonds (distance) P-C4' energy: -73.585 flat angles C4'-P-C4' energy: -77.669 flat angles P-C4'-P energy: -49.190 tors. eta vs tors. theta energy: -87.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -996.388381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.388381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.388381 (E_RNA) where: Base-Base interactions energy: -671.652 where: short stacking energy: -314.111 Base-Backbone interact. energy: -0.990 local terms energy: -323.746606 where: bonds (distance) C4'-P energy: -59.280 bonds (distance) P-C4' energy: -66.473 flat angles C4'-P-C4' energy: -78.764 flat angles P-C4'-P energy: -35.845 tors. eta vs tors. theta energy: -83.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -929.834233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.834233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.834233 (E_RNA) where: Base-Base interactions energy: -612.673 where: short stacking energy: -288.380 Base-Backbone interact. energy: -0.662 local terms energy: -316.499412 where: bonds (distance) C4'-P energy: -62.769 bonds (distance) P-C4' energy: -55.699 flat angles C4'-P-C4' energy: -65.025 flat angles P-C4'-P energy: -55.469 tors. eta vs tors. theta energy: -77.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -798.212659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.212659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.212659 (E_RNA) where: Base-Base interactions energy: -487.626 where: short stacking energy: -256.598 Base-Backbone interact. energy: 1.165 local terms energy: -311.751072 where: bonds (distance) C4'-P energy: -68.163 bonds (distance) P-C4' energy: -58.243 flat angles C4'-P-C4' energy: -73.633 flat angles P-C4'-P energy: -46.579 tors. eta vs tors. theta energy: -65.134 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: 8 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -760.981167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.981167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.981167 (E_RNA) where: Base-Base interactions energy: -477.708 where: short stacking energy: -206.154 Base-Backbone interact. energy: -0.819 local terms energy: -282.453973 where: bonds (distance) C4'-P energy: -59.060 bonds (distance) P-C4' energy: -68.485 flat angles C4'-P-C4' energy: -57.976 flat angles P-C4'-P energy: -40.790 tors. eta vs tors. theta energy: -56.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -531.547924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.547924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.547924 (E_RNA) where: Base-Base interactions energy: -314.181 where: short stacking energy: -163.350 Base-Backbone interact. energy: 1.565 local terms energy: -218.931327 where: bonds (distance) C4'-P energy: -51.085 bonds (distance) P-C4' energy: -58.728 flat angles C4'-P-C4' energy: -58.117 flat angles P-C4'-P energy: -31.748 tors. eta vs tors. theta energy: -19.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -402.540848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.540848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.540848 (E_RNA) where: Base-Base interactions energy: -185.246 where: short stacking energy: -102.181 Base-Backbone interact. energy: -0.681 local terms energy: -216.614133 where: bonds (distance) C4'-P energy: -61.213 bonds (distance) P-C4' energy: -52.283 flat angles C4'-P-C4' energy: -62.446 flat angles P-C4'-P energy: -41.756 tors. eta vs tors. theta energy: 1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -290.743579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.743579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.743579 (E_RNA) where: Base-Base interactions energy: -103.205 where: short stacking energy: -101.335 Base-Backbone interact. energy: 0.576 local terms energy: -188.115367 where: bonds (distance) C4'-P energy: -58.372 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -43.375 flat angles P-C4'-P energy: -25.150 tors. eta vs tors. theta energy: 10.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1148.921543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.921543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.921543 (E_RNA) where: Base-Base interactions energy: -779.294 where: short stacking energy: -360.162 Base-Backbone interact. energy: -1.400 local terms energy: -368.226909 where: bonds (distance) C4'-P energy: -63.353 bonds (distance) P-C4' energy: -66.508 flat angles C4'-P-C4' energy: -77.719 flat angles P-C4'-P energy: -56.906 tors. eta vs tors. theta energy: -103.740 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: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1135.006375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.006375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.006375 (E_RNA) where: Base-Base interactions energy: -777.359 where: short stacking energy: -366.630 Base-Backbone interact. energy: -1.490 local terms energy: -356.157163 where: bonds (distance) C4'-P energy: -63.575 bonds (distance) P-C4' energy: -62.840 flat angles C4'-P-C4' energy: -77.000 flat angles P-C4'-P energy: -51.792 tors. eta vs tors. theta energy: -100.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1038.878763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.878763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.878763 (E_RNA) where: Base-Base interactions energy: -698.818 where: short stacking energy: -329.351 Base-Backbone interact. energy: -0.938 local terms energy: -339.122632 where: bonds (distance) C4'-P energy: -63.027 bonds (distance) P-C4' energy: -69.213 flat angles C4'-P-C4' energy: -77.525 flat angles P-C4'-P energy: -44.751 tors. eta vs tors. theta energy: -84.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -977.791349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.791349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.791349 (E_RNA) where: Base-Base interactions energy: -651.646 where: short stacking energy: -298.563 Base-Backbone interact. energy: -1.783 local terms energy: -324.362476 where: bonds (distance) C4'-P energy: -61.659 bonds (distance) P-C4' energy: -69.400 flat angles C4'-P-C4' energy: -70.284 flat angles P-C4'-P energy: -45.953 tors. eta vs tors. theta energy: -77.067 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: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -918.967786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.967786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.967786 (E_RNA) where: Base-Base interactions energy: -613.501 where: short stacking energy: -288.147 Base-Backbone interact. energy: -1.199 local terms energy: -304.267758 where: bonds (distance) C4'-P energy: -47.914 bonds (distance) P-C4' energy: -68.864 flat angles C4'-P-C4' energy: -67.837 flat angles P-C4'-P energy: -34.836 tors. eta vs tors. theta energy: -84.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -779.018321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.018321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.018321 (E_RNA) where: Base-Base interactions energy: -479.760 where: short stacking energy: -228.920 Base-Backbone interact. energy: -0.855 local terms energy: -298.403711 where: bonds (distance) C4'-P energy: -50.396 bonds (distance) P-C4' energy: -70.578 flat angles C4'-P-C4' energy: -71.066 flat angles P-C4'-P energy: -49.579 tors. eta vs tors. theta energy: -56.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -779.388323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.388323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.388323 (E_RNA) where: Base-Base interactions energy: -476.116 where: short stacking energy: -230.369 Base-Backbone interact. energy: -0.816 local terms energy: -302.455890 where: bonds (distance) C4'-P energy: -68.334 bonds (distance) P-C4' energy: -64.639 flat angles C4'-P-C4' energy: -71.758 flat angles P-C4'-P energy: -42.118 tors. eta vs tors. theta energy: -55.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -504.572855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.572855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.572855 (E_RNA) where: Base-Base interactions energy: -267.809 where: short stacking energy: -157.470 Base-Backbone interact. energy: -0.449 local terms energy: -236.315197 where: bonds (distance) C4'-P energy: -60.395 bonds (distance) P-C4' energy: -57.703 flat angles C4'-P-C4' energy: -52.410 flat angles P-C4'-P energy: -30.183 tors. eta vs tors. theta energy: -35.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -405.683864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.683864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.683864 (E_RNA) where: Base-Base interactions energy: -204.089 where: short stacking energy: -112.298 Base-Backbone interact. energy: -1.885 local terms energy: -199.710289 where: bonds (distance) C4'-P energy: -47.573 bonds (distance) P-C4' energy: -53.271 flat angles C4'-P-C4' energy: -58.869 flat angles P-C4'-P energy: -32.497 tors. eta vs tors. theta energy: -7.500 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: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -293.521760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.521760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.521760 (E_RNA) where: Base-Base interactions energy: -103.651 where: short stacking energy: -68.247 Base-Backbone interact. energy: -1.620 local terms energy: -188.250093 where: bonds (distance) C4'-P energy: -57.010 bonds (distance) P-C4' energy: -68.988 flat angles C4'-P-C4' energy: -44.966 flat angles P-C4'-P energy: -20.299 tors. eta vs tors. theta energy: 3.013 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: 1, replica: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1157.651814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.651814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.651814 (E_RNA) where: Base-Base interactions energy: -782.356 where: short stacking energy: -369.948 Base-Backbone interact. energy: 0.464 local terms energy: -375.759698 where: bonds (distance) C4'-P energy: -67.984 bonds (distance) P-C4' energy: -64.629 flat angles C4'-P-C4' energy: -83.048 flat angles P-C4'-P energy: -52.016 tors. eta vs tors. theta energy: -108.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1123.619244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.619244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.619244 (E_RNA) where: Base-Base interactions energy: -764.131 where: short stacking energy: -353.922 Base-Backbone interact. energy: -1.189 local terms energy: -358.298822 where: bonds (distance) C4'-P energy: -66.359 bonds (distance) P-C4' energy: -63.883 flat angles C4'-P-C4' energy: -78.754 flat angles P-C4'-P energy: -42.041 tors. eta vs tors. theta energy: -107.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1000.709244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.709244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.709244 (E_RNA) where: Base-Base interactions energy: -689.758 where: short stacking energy: -284.578 Base-Backbone interact. energy: -2.002 local terms energy: -308.949216 where: bonds (distance) C4'-P energy: -59.859 bonds (distance) P-C4' energy: -63.990 flat angles C4'-P-C4' energy: -62.742 flat angles P-C4'-P energy: -39.931 tors. eta vs tors. theta energy: -82.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -991.342443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.342443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.342443 (E_RNA) where: Base-Base interactions energy: -662.494 where: short stacking energy: -303.798 Base-Backbone interact. energy: -0.203 local terms energy: -328.644695 where: bonds (distance) C4'-P energy: -68.070 bonds (distance) P-C4' energy: -64.179 flat angles C4'-P-C4' energy: -58.364 flat angles P-C4'-P energy: -51.237 tors. eta vs tors. theta energy: -86.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -965.415527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.415527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.415527 (E_RNA) where: Base-Base interactions energy: -636.223 where: short stacking energy: -312.397 Base-Backbone interact. energy: -0.583 local terms energy: -328.609642 where: bonds (distance) C4'-P energy: -61.610 bonds (distance) P-C4' energy: -63.130 flat angles C4'-P-C4' energy: -78.412 flat angles P-C4'-P energy: -38.014 tors. eta vs tors. theta energy: -87.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -790.557624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.557624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.557624 (E_RNA) where: Base-Base interactions energy: -497.991 where: short stacking energy: -237.086 Base-Backbone interact. energy: -0.945 local terms energy: -291.621765 where: bonds (distance) C4'-P energy: -60.364 bonds (distance) P-C4' energy: -63.928 flat angles C4'-P-C4' energy: -64.856 flat angles P-C4'-P energy: -43.530 tors. eta vs tors. theta energy: -58.943 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: 8 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -764.859853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.859853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.859853 (E_RNA) where: Base-Base interactions energy: -478.349 where: short stacking energy: -219.568 Base-Backbone interact. energy: -0.713 local terms energy: -285.798407 where: bonds (distance) C4'-P energy: -54.799 bonds (distance) P-C4' energy: -68.402 flat angles C4'-P-C4' energy: -69.747 flat angles P-C4'-P energy: -38.903 tors. eta vs tors. theta energy: -53.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -485.582920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.582920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.582920 (E_RNA) where: Base-Base interactions energy: -252.799 where: short stacking energy: -147.074 Base-Backbone interact. energy: 0.065 local terms energy: -232.848547 where: bonds (distance) C4'-P energy: -63.027 bonds (distance) P-C4' energy: -62.200 flat angles C4'-P-C4' energy: -55.997 flat angles P-C4'-P energy: -40.393 tors. eta vs tors. theta energy: -11.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -402.573388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.573388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.573388 (E_RNA) where: Base-Base interactions energy: -190.751 where: short stacking energy: -125.924 Base-Backbone interact. energy: 3.310 local terms energy: -215.132412 where: bonds (distance) C4'-P energy: -54.388 bonds (distance) P-C4' energy: -66.821 flat angles C4'-P-C4' energy: -47.279 flat angles P-C4'-P energy: -34.865 tors. eta vs tors. theta energy: -11.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -302.664608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.664608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.664608 (E_RNA) where: Base-Base interactions energy: -115.585 where: short stacking energy: -94.683 Base-Backbone interact. energy: -1.677 local terms energy: -185.402224 where: bonds (distance) C4'-P energy: -69.042 bonds (distance) P-C4' energy: -52.101 flat angles C4'-P-C4' energy: -48.592 flat angles P-C4'-P energy: -26.099 tors. eta vs tors. theta energy: 10.433 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: 1, replica: 10 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1163.823765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.823765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.823765 (E_RNA) where: Base-Base interactions energy: -784.381 where: short stacking energy: -362.275 Base-Backbone interact. energy: -0.291 local terms energy: -379.151811 where: bonds (distance) C4'-P energy: -76.534 bonds (distance) P-C4' energy: -66.763 flat angles C4'-P-C4' energy: -75.158 flat angles P-C4'-P energy: -55.500 tors. eta vs tors. theta energy: -105.196 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: 6 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1112.066254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.066254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.066254 (E_RNA) where: Base-Base interactions energy: -735.355 where: short stacking energy: -347.769 Base-Backbone interact. energy: -0.192 local terms energy: -376.518871 where: bonds (distance) C4'-P energy: -64.780 bonds (distance) P-C4' energy: -74.142 flat angles C4'-P-C4' energy: -78.598 flat angles P-C4'-P energy: -55.192 tors. eta vs tors. theta energy: -103.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1041.919583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.919583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.919583 (E_RNA) where: Base-Base interactions energy: -673.385 where: short stacking energy: -320.689 Base-Backbone interact. energy: 0.464 local terms energy: -368.998929 where: bonds (distance) C4'-P energy: -72.723 bonds (distance) P-C4' energy: -67.903 flat angles C4'-P-C4' energy: -78.317 flat angles P-C4'-P energy: -56.557 tors. eta vs tors. theta energy: -93.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1008.792461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.792461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.792461 (E_RNA) where: Base-Base interactions energy: -678.888 where: short stacking energy: -308.390 Base-Backbone interact. energy: 0.482 local terms energy: -330.386792 where: bonds (distance) C4'-P energy: -56.720 bonds (distance) P-C4' energy: -66.243 flat angles C4'-P-C4' energy: -79.391 flat angles P-C4'-P energy: -47.794 tors. eta vs tors. theta energy: -80.239 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: 3 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -985.484571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.484571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.484571 (E_RNA) where: Base-Base interactions energy: -677.094 where: short stacking energy: -295.733 Base-Backbone interact. energy: 2.895 local terms energy: -311.285558 where: bonds (distance) C4'-P energy: -57.783 bonds (distance) P-C4' energy: -62.692 flat angles C4'-P-C4' energy: -67.776 flat angles P-C4'-P energy: -39.491 tors. eta vs tors. theta energy: -83.544 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: 7 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -869.645525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.645525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.645525 (E_RNA) where: Base-Base interactions energy: -561.591 where: short stacking energy: -274.645 Base-Backbone interact. energy: -0.444 local terms energy: -307.610234 where: bonds (distance) C4'-P energy: -69.211 bonds (distance) P-C4' energy: -63.008 flat angles C4'-P-C4' energy: -56.536 flat angles P-C4'-P energy: -54.471 tors. eta vs tors. theta energy: -64.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -740.457541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.457541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.457541 (E_RNA) where: Base-Base interactions energy: -443.684 where: short stacking energy: -208.254 Base-Backbone interact. energy: 0.306 local terms energy: -297.078874 where: bonds (distance) C4'-P energy: -57.224 bonds (distance) P-C4' energy: -66.776 flat angles C4'-P-C4' energy: -73.809 flat angles P-C4'-P energy: -44.579 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: 8, replica: 5 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -509.678733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.678733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.678733 (E_RNA) where: Base-Base interactions energy: -281.901 where: short stacking energy: -159.764 Base-Backbone interact. energy: -1.141 local terms energy: -226.636535 where: bonds (distance) C4'-P energy: -55.695 bonds (distance) P-C4' energy: -55.592 flat angles C4'-P-C4' energy: -52.673 flat angles P-C4'-P energy: -39.975 tors. eta vs tors. theta energy: -22.701 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: 2 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -429.797961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.797961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.797961 (E_RNA) where: Base-Base interactions energy: -197.223 where: short stacking energy: -140.146 Base-Backbone interact. energy: 0.843 local terms energy: -233.418240 where: bonds (distance) C4'-P energy: -59.705 bonds (distance) P-C4' energy: -60.812 flat angles C4'-P-C4' energy: -53.432 flat angles P-C4'-P energy: -37.711 tors. eta vs tors. theta energy: -21.757 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: 9 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -303.854737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.854737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.854737 (E_RNA) where: Base-Base interactions energy: -130.692 where: short stacking energy: -109.310 Base-Backbone interact. energy: 4.396 local terms energy: -177.558272 where: bonds (distance) C4'-P energy: -59.306 bonds (distance) P-C4' energy: -50.912 flat angles C4'-P-C4' energy: -47.597 flat angles P-C4'-P energy: -19.168 tors. eta vs tors. theta energy: -0.576 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: 10 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1143.635461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.635461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.635461 (E_RNA) where: Base-Base interactions energy: -759.347 where: short stacking energy: -362.183 Base-Backbone interact. energy: -1.419 local terms energy: -382.870295 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -70.067 flat angles C4'-P-C4' energy: -80.464 flat angles P-C4'-P energy: -60.287 tors. eta vs tors. theta energy: -108.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1129.447444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.447444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.447444 (E_RNA) where: Base-Base interactions energy: -756.235 where: short stacking energy: -357.894 Base-Backbone interact. energy: 0.207 local terms energy: -373.419328 where: bonds (distance) C4'-P energy: -69.153 bonds (distance) P-C4' energy: -69.046 flat angles C4'-P-C4' energy: -79.600 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: -106.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1026.614664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.614664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.614664 (E_RNA) where: Base-Base interactions energy: -686.173 where: short stacking energy: -314.362 Base-Backbone interact. energy: -1.398 local terms energy: -339.043264 where: bonds (distance) C4'-P energy: -63.707 bonds (distance) P-C4' energy: -66.401 flat angles C4'-P-C4' energy: -74.452 flat angles P-C4'-P energy: -54.061 tors. eta vs tors. theta energy: -80.423 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: 3 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1013.989218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.989218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.989218 (E_RNA) where: Base-Base interactions energy: -689.879 where: short stacking energy: -311.263 Base-Backbone interact. energy: -0.876 local terms energy: -323.233844 where: bonds (distance) C4'-P energy: -58.592 bonds (distance) P-C4' energy: -64.443 flat angles C4'-P-C4' energy: -67.294 flat angles P-C4'-P energy: -41.175 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: 5, replica: 1 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -931.888681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.888681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.888681 (E_RNA) where: Base-Base interactions energy: -643.139 where: short stacking energy: -287.513 Base-Backbone interact. energy: -1.052 local terms energy: -287.698574 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -57.126 flat angles C4'-P-C4' energy: -69.390 flat angles P-C4'-P energy: -30.627 tors. eta vs tors. theta energy: -69.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -819.561814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.561814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.561814 (E_RNA) where: Base-Base interactions energy: -510.979 where: short stacking energy: -272.341 Base-Backbone interact. energy: 1.147 local terms energy: -309.730499 where: bonds (distance) C4'-P energy: -70.830 bonds (distance) P-C4' energy: -65.248 flat angles C4'-P-C4' energy: -57.096 flat angles P-C4'-P energy: -48.784 tors. eta vs tors. theta energy: -67.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -789.706720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.706720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.706720 (E_RNA) where: Base-Base interactions energy: -505.612 where: short stacking energy: -242.909 Base-Backbone interact. energy: -0.790 local terms energy: -283.305338 where: bonds (distance) C4'-P energy: -54.126 bonds (distance) P-C4' energy: -63.710 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -30.511 tors. eta vs tors. theta energy: -68.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -586.452816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.452816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.452816 (E_RNA) where: Base-Base interactions energy: -333.972 where: short stacking energy: -168.684 Base-Backbone interact. energy: -1.736 local terms energy: -250.744396 where: bonds (distance) C4'-P energy: -42.397 bonds (distance) P-C4' energy: -57.696 flat angles C4'-P-C4' energy: -73.000 flat angles P-C4'-P energy: -43.993 tors. eta vs tors. theta energy: -33.658 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: 9, replica: 2 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -410.262123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.262123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.262123 (E_RNA) where: Base-Base interactions energy: -189.253 where: short stacking energy: -120.306 Base-Backbone interact. energy: 0.030 local terms energy: -221.039455 where: bonds (distance) C4'-P energy: -54.847 bonds (distance) P-C4' energy: -75.500 flat angles C4'-P-C4' energy: -52.463 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -0.415 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: 9 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -283.466893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.466893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.466893 (E_RNA) where: Base-Base interactions energy: -103.173 where: short stacking energy: -97.214 Base-Backbone interact. energy: -1.962 local terms energy: -178.331865 where: bonds (distance) C4'-P energy: -53.603 bonds (distance) P-C4' energy: -49.620 flat angles C4'-P-C4' energy: -46.618 flat angles P-C4'-P energy: -33.103 tors. eta vs tors. theta energy: 4.611 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: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1156.450186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.450186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.450186 (E_RNA) where: Base-Base interactions energy: -773.952 where: short stacking energy: -360.377 Base-Backbone interact. energy: -1.507 local terms energy: -380.991242 where: bonds (distance) C4'-P energy: -66.679 bonds (distance) P-C4' energy: -66.583 flat angles C4'-P-C4' energy: -80.708 flat angles P-C4'-P energy: -67.194 tors. eta vs tors. theta energy: -99.827 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: 10 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1139.948174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.948174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.948174 (E_RNA) where: Base-Base interactions energy: -757.695 where: short stacking energy: -349.986 Base-Backbone interact. energy: -0.905 local terms energy: -381.348479 where: bonds (distance) C4'-P energy: -65.591 bonds (distance) P-C4' energy: -70.251 flat angles C4'-P-C4' energy: -83.605 flat angles P-C4'-P energy: -53.240 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: 3, replica: 3 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1035.670730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.670730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.670730 (E_RNA) where: Base-Base interactions energy: -699.888 where: short stacking energy: -327.219 Base-Backbone interact. energy: -0.822 local terms energy: -334.960611 where: bonds (distance) C4'-P energy: -59.386 bonds (distance) P-C4' energy: -67.137 flat angles C4'-P-C4' energy: -76.148 flat angles P-C4'-P energy: -33.899 tors. eta vs tors. theta energy: -98.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -979.002984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.002984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.002984 (E_RNA) where: Base-Base interactions energy: -630.987 where: short stacking energy: -283.885 Base-Backbone interact. energy: -0.707 local terms energy: -347.308787 where: bonds (distance) C4'-P energy: -77.840 bonds (distance) P-C4' energy: -64.101 flat angles C4'-P-C4' energy: -76.641 flat angles P-C4'-P energy: -52.499 tors. eta vs tors. theta energy: -76.228 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: 1 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -971.376102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.376102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.376102 (E_RNA) where: Base-Base interactions energy: -647.938 where: short stacking energy: -301.542 Base-Backbone interact. energy: 3.667 local terms energy: -327.105017 where: bonds (distance) C4'-P energy: -57.043 bonds (distance) P-C4' energy: -68.116 flat angles C4'-P-C4' energy: -62.756 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: -88.046 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: 8 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -818.813086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.813086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.813086 (E_RNA) where: Base-Base interactions energy: -526.126 where: short stacking energy: -255.042 Base-Backbone interact. energy: 1.093 local terms energy: -293.779946 where: bonds (distance) C4'-P energy: -56.266 bonds (distance) P-C4' energy: -61.843 flat angles C4'-P-C4' energy: -68.065 flat angles P-C4'-P energy: -41.874 tors. eta vs tors. theta energy: -65.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -782.381165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.381165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.381165 (E_RNA) where: Base-Base interactions energy: -503.433 where: short stacking energy: -235.378 Base-Backbone interact. energy: -0.680 local terms energy: -278.267802 where: bonds (distance) C4'-P energy: -56.773 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -67.035 flat angles P-C4'-P energy: -37.999 tors. eta vs tors. theta energy: -54.651 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: 5 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -569.882311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.882311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.882311 (E_RNA) where: Base-Base interactions energy: -312.440 where: short stacking energy: -178.807 Base-Backbone interact. energy: -1.296 local terms energy: -256.145630 where: bonds (distance) C4'-P energy: -55.305 bonds (distance) P-C4' energy: -65.231 flat angles C4'-P-C4' energy: -54.826 flat angles P-C4'-P energy: -41.933 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: 9, replica: 2 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -431.598142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.598142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.598142 (E_RNA) where: Base-Base interactions energy: -207.450 where: short stacking energy: -132.811 Base-Backbone interact. energy: 1.436 local terms energy: -225.584598 where: bonds (distance) C4'-P energy: -58.697 bonds (distance) P-C4' energy: -59.280 flat angles C4'-P-C4' energy: -49.791 flat angles P-C4'-P energy: -34.140 tors. eta vs tors. theta energy: -23.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -281.271504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.271504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.271504 (E_RNA) where: Base-Base interactions energy: -112.061 where: short stacking energy: -94.844 Base-Backbone interact. energy: 4.696 local terms energy: -173.906304 where: bonds (distance) C4'-P energy: -25.214 bonds (distance) P-C4' energy: -61.170 flat angles C4'-P-C4' energy: -58.929 flat angles P-C4'-P energy: -32.804 tors. eta vs tors. theta energy: 4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1156.109639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.109639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.109639 (E_RNA) where: Base-Base interactions energy: -776.421 where: short stacking energy: -373.718 Base-Backbone interact. energy: -1.310 local terms energy: -378.378577 where: bonds (distance) C4'-P energy: -70.382 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -78.474 flat angles P-C4'-P energy: -54.230 tors. eta vs tors. theta energy: -106.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1101.490401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.490401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.490401 (E_RNA) where: Base-Base interactions energy: -722.321 where: short stacking energy: -341.269 Base-Backbone interact. energy: -0.991 local terms energy: -378.179011 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -71.700 flat angles C4'-P-C4' energy: -79.721 flat angles P-C4'-P energy: -56.647 tors. eta vs tors. theta energy: -105.558 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: 3, replica: 3 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1039.200805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.200805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.200805 (E_RNA) where: Base-Base interactions energy: -699.446 where: short stacking energy: -321.456 Base-Backbone interact. energy: 4.146 local terms energy: -343.900922 where: bonds (distance) C4'-P energy: -64.187 bonds (distance) P-C4' energy: -67.496 flat angles C4'-P-C4' energy: -74.540 flat angles P-C4'-P energy: -47.908 tors. eta vs tors. theta energy: -89.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -982.950964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.950964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.950964 (E_RNA) where: Base-Base interactions energy: -660.764 where: short stacking energy: -275.204 Base-Backbone interact. energy: -0.532 local terms energy: -321.655002 where: bonds (distance) C4'-P energy: -60.330 bonds (distance) P-C4' energy: -64.930 flat angles C4'-P-C4' energy: -78.908 flat angles P-C4'-P energy: -46.592 tors. eta vs tors. theta energy: -70.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -960.203735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.203735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.203735 (E_RNA) where: Base-Base interactions energy: -635.533 where: short stacking energy: -297.001 Base-Backbone interact. energy: -0.211 local terms energy: -324.459369 where: bonds (distance) C4'-P energy: -73.156 bonds (distance) P-C4' energy: -70.100 flat angles C4'-P-C4' energy: -66.041 flat angles P-C4'-P energy: -37.622 tors. eta vs tors. theta energy: -77.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -836.397905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.397905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.397905 (E_RNA) where: Base-Base interactions energy: -531.008 where: short stacking energy: -246.090 Base-Backbone interact. energy: -1.026 local terms energy: -304.363600 where: bonds (distance) C4'-P energy: -58.713 bonds (distance) P-C4' energy: -68.876 flat angles C4'-P-C4' energy: -72.193 flat angles P-C4'-P energy: -37.636 tors. eta vs tors. theta energy: -66.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -756.411365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.411365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.411365 (E_RNA) where: Base-Base interactions energy: -483.363 where: short stacking energy: -221.098 Base-Backbone interact. energy: 0.022 local terms energy: -273.071220 where: bonds (distance) C4'-P energy: -65.556 bonds (distance) P-C4' energy: -62.752 flat angles C4'-P-C4' energy: -58.671 flat angles P-C4'-P energy: -33.938 tors. eta vs tors. theta energy: -52.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -604.816782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.816782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.816782 (E_RNA) where: Base-Base interactions energy: -342.484 where: short stacking energy: -180.281 Base-Backbone interact. energy: 0.325 local terms energy: -262.658495 where: bonds (distance) C4'-P energy: -67.126 bonds (distance) P-C4' energy: -61.622 flat angles C4'-P-C4' energy: -65.436 flat angles P-C4'-P energy: -27.760 tors. eta vs tors. theta energy: -40.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -412.034186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.034186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.034186 (E_RNA) where: Base-Base interactions energy: -221.988 where: short stacking energy: -134.748 Base-Backbone interact. energy: 2.310 local terms energy: -192.356938 where: bonds (distance) C4'-P energy: -55.096 bonds (distance) P-C4' energy: -63.308 flat angles C4'-P-C4' energy: -45.036 flat angles P-C4'-P energy: -20.466 tors. eta vs tors. theta energy: -8.451 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: 501 Temperature: 1.350000 Total energy: -340.953825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.953825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.953825 (E_RNA) where: Base-Base interactions energy: -144.923 where: short stacking energy: -80.179 Base-Backbone interact. energy: -1.990 local terms energy: -194.041096 where: bonds (distance) C4'-P energy: -45.730 bonds (distance) P-C4' energy: -60.239 flat angles C4'-P-C4' energy: -58.512 flat angles P-C4'-P energy: -33.223 tors. eta vs tors. theta energy: 3.663 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) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 76721123 moves confirmed later: 88168761 all moves confirmed: 164889884 percent of confirmed moves: 20.611235 current total energy: -1028.016284 recalc. total energy: -1028.016284 replica 6 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 91385597 moves confirmed later: 107662578 all moves confirmed: 199048175 percent of confirmed moves: 24.881022 current total energy: -1055.781248 recalc. total energy: -1055.781248 replica 3 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 85894371 moves confirmed later: 100061778 all moves confirmed: 185956149 percent of confirmed moves: 23.244519 current total energy: -943.726794 recalc. total energy: -943.726794 replica 1 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 62560657 moves confirmed later: 68926153 all moves confirmed: 131486810 percent of confirmed moves: 16.435851 current total energy: -905.269014 recalc. total energy: -905.269014 replica 4 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 63461445 moves confirmed later: 70252587 all moves confirmed: 133714032 percent of confirmed moves: 16.714254 current total energy: -907.989251 recalc. total energy: -907.989251 replica 8 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 76445353 moves confirmed later: 88237820 all moves confirmed: 164683173 percent of confirmed moves: 20.585397 current total energy: -779.232481 recalc. total energy: -779.232481 replica 7 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 115789962 moves confirmed later: 139762759 all moves confirmed: 255552721 percent of confirmed moves: 31.944090 current total energy: -605.626987 recalc. total energy: -605.626987 replica 5 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 84662591 moves confirmed later: 98500510 all moves confirmed: 183163101 percent of confirmed moves: 22.895388 current total energy: -406.814250 recalc. total energy: -406.814250 replica 9 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 92911646 moves confirmed later: 109243183 all moves confirmed: 202154829 percent of confirmed moves: 25.269354 current total energy: -243.967707 recalc. total energy: -243.967707 replica 2 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 102042282 moves confirmed later: 121378100 all moves confirmed: 223420382 percent of confirmed moves: 27.927548 current total energy: -331.074677 recalc. total energy: -331.074677 out arg RESULTS//1/111-0827b976_01 Time of doing 8000000 iterations: 14106.983 seconds